A new application about Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide

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Pseudosaccharin amine derivatives: Synthesis and elastase inhibitory activity

Pseudosaccharin amines were synthesized from saccharin either by the reaction of pseudosaccharin chloride with amines, or via thiosaccharin which was treated with amines yielding thiosaccharinates, and their reaction with glacial acetic acid. This route gave lower yields than the first way. The synthesis of alkyl [(1,1-dioxo-benzo[d]isothiazol-3-yl)amino]alkanoates as possible Human Leukocyte Elastase (HLE) inhibitors was realized by the reaction between amino acid esters and pseudosaccharin chloride. Hydrolysis of the esters was possible under aqueous basic conditions. Selected compounds were screened for elastase inhibitory activity. Compounds 4k and 4m were found to be reversible inhibitors of HLE with Ki values of 45 muM and 60 muM.

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Structural study of thiosaccharin by single crystal X-ray diffraction and infrared spectroscopy

The structure of thiosaccharin (1,2-benzisothiazol-3(2H)-thione 1,1-dioxide) has been investigated by X-ray diffraction and infrared spectroscopic methods.The compound crystallizes in the orthorhombic space group Fdd2 with a = 26.591(3), b = 25.058(3), c = 4.934(5) Angstroem, Z = 16.The structure consists of thiosaccharin molecules bonded to each other through N-H<*>O intermolecular hydrogen bonds.The infrared spectra of the thiosaccharin at room and liquid-nitrogen temperature were recorded.The spectral features in the N-H stretching region were correlated with the crystallographic data on the geometry of the N-H<*>O hydrogen bonding.In an attempt to assign the bands due to the SO2 stretching modes, the spectrum of thiosaccharin was compared with that of saccharin (1,2-benzoisothiazole-3(2H)-one, 1,1-dioxide.KEY WORDS: Thiosaccharin, infrared spectra, crystal structure polymorphs.

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Unusual coordination in a silver thionate complex. Synthesis, structural characterization and theoretical calculations of dinuclear and polynuclear silver(I) thiosaccharinates with pyridine and 1,10-phenanthroline

Treatment of Ag6(tsac)6 (tsac = thiosaccharinate anion) with pyridine (py) and 1,10-phenanthroline (o-phen) each affords two novel silver(I)-thiosaccharinate complexes: dinuclear [Ag2(tsac)2py] (1) and polynuclear [Ag(tsac)(o-phen)]n (2). Both crystal structures have been determined by X-ray diffraction and spectroscopic structural analysis (IR and Raman, UV-Vis, 1H and 13C NMR) have also been made for both compounds. Thermal stability analysis (TGA and DTA) of complex 1 are used to confirm the strength of the pyridine coordination to the silver ion. The molecular structure of complex 1 shows some astonishing characteristics. The two silver atoms are in different environments: one of them is surrounded by two S atoms, while the other completes its coordination sphere by three N atoms, two from the thiosaccharinate anions and the third from a pyridine molecule. The short Ag(1)-Ag(2) contact distance, 2.9681(8) A, indicates an interaction between the two silver metal atoms exists. Complex 2 shows a thiosaccharinate molecule bridging two silver atoms through the exocyclic S atom while the o-phenanthroline ligand is coordinated as a bidentate N,N chelate, forming a polynuclear chain. Quantum chemical calculations confirm the argentophilic character of the Ag-Ag interaction in complex 1, and its structure and vibrational assignments were correlated and confirmed theoretically.

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Structural study of thiosaccharin by single crystal X-ray diffraction and infrared spectroscopy

The structure of thiosaccharin (1,2-benzisothiazol-3(2H)-thione 1,1-dioxide) has been investigated by X-ray diffraction and infrared spectroscopic methods.The compound crystallizes in the orthorhombic space group Fdd2 with a = 26.591(3), b = 25.058(3), c = 4.934(5) Angstroem, Z = 16.The structure consists of thiosaccharin molecules bonded to each other through N-H<*>O intermolecular hydrogen bonds.The infrared spectra of the thiosaccharin at room and liquid-nitrogen temperature were recorded.The spectral features in the N-H stretching region were correlated with the crystallographic data on the geometry of the N-H<*>O hydrogen bonding.In an attempt to assign the bands due to the SO2 stretching modes, the spectrum of thiosaccharin was compared with that of saccharin (1,2-benzoisothiazole-3(2H)-one, 1,1-dioxide.KEY WORDS: Thiosaccharin, infrared spectra, crystal structure polymorphs.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions.category: isothiazole, you can also check out more blogs about27148-03-4

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics.In a document type is Article, the author is Dennehy, Mariana and a compound is mentioned, category: isothiazole, Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, introducing its new discovery. category: isothiazole

Unusual coordination in a silver thionate complex. Synthesis, structural characterization and theoretical calculations of dinuclear and polynuclear silver(I) thiosaccharinates with pyridine and 1,10-phenanthroline

Treatment of Ag6(tsac)6 (tsac = thiosaccharinate anion) with pyridine (py) and 1,10-phenanthroline (o-phen) each affords two novel silver(I)-thiosaccharinate complexes: dinuclear [Ag2(tsac)2py] (1) and polynuclear [Ag(tsac)(o-phen)]n (2). Both crystal structures have been determined by X-ray diffraction and spectroscopic structural analysis (IR and Raman, UV-Vis, 1H and 13C NMR) have also been made for both compounds. Thermal stability analysis (TGA and DTA) of complex 1 are used to confirm the strength of the pyridine coordination to the silver ion. The molecular structure of complex 1 shows some astonishing characteristics. The two silver atoms are in different environments: one of them is surrounded by two S atoms, while the other completes its coordination sphere by three N atoms, two from the thiosaccharinate anions and the third from a pyridine molecule. The short Ag(1)-Ag(2) contact distance, 2.9681(8) A, indicates an interaction between the two silver metal atoms exists. Complex 2 shows a thiosaccharinate molecule bridging two silver atoms through the exocyclic S atom while the o-phenanthroline ligand is coordinated as a bidentate N,N chelate, forming a polynuclear chain. Quantum chemical calculations confirm the argentophilic character of the Ag-Ag interaction in complex 1, and its structure and vibrational assignments were correlated and confirmed theoretically.

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Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. COA of Formula: C7H5NO2S2, If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 27148-03-4, in my other articles.

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Synthesis and structural analysis of new palladium(II) thiosaccharinates with triphenylphosphane or diphosphanes

A series of palladium(II) thiosaccharinates with triphenylphosphane (PPh3), bis(diphenylphosphanyl)methane (dppm), and bis(diphenylphosphanyl)ethane (dppe) have been prepared and characterized. From mixtures of thiosaccharin, Htsac, and palladium(II) acetylacetonate, Pd(acac)2, the palladium(II) thiosaccharinate, Pd(tsac)2 (tsac: thiosaccharinate anion) (1) was prepared. The reaction of 1 with PPh 3, dppm, and dppe leads to the mononuclear species Pd(tsac) 2(PPh3)2MeCN (2), [Pd(tsac)2(dppm)] (3), Pd(tsac)2(dppm)2 (4), and [Pd(tsac) 2(dppe)].M.eCN (5). Compounds 2, 4, and 5 have been, prepared also by the reaction, of Pd(acac)2 with the corresponding phosphane and Htsac. All the new complexes have been characterized by chemical analysis, UV/Vis, IR, and Raman spectroscopy. Some of them, have been, also characterized by NMR spectroscopy. The crystalline structures of complexes 3, and 5 have been studied by X-ray diffraction techniques. Complex 3 crystallizes in the monoclinic space group P21/n with a = 16.3537(2), b = 13.3981(3), c = 35.2277(7) A, ss = 91.284(1), and Z = 8 molecules per unit cell, and complex 5 in Pl1/n with a = 10.6445(8), b = 26.412(3), c = 15.781(2) A, beta = 107.996(7), and Z = 4. In compounds 3 and 5, the palladium ions are in a distorted square planar environment. They are closely related, having two sulfur atoms of two thiosaccharinate anions, and two phosphorus atoms of one molecule of dppm or dppe, respectively, bonded to the PdII atom. The molecular structure of complex 3 is the first reported for a mononuclear PdII dppm-thionate system.

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One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Formula: C7H5NO2S2, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 27148-03-4, Name is Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, molecular formula is C7H5NO2S2

Reactions of [Ru3(CO)12] with thiosaccharin: Synthesis and structure of di-, tri-, tetra- and penta-ruthenium complexes containing a thiosaccharinate ligand(s)

Reactions of [Ru3(CO)12] with thiosaccharin (tsacH) at different temperatures have been investigated. At 40 C, the diruthenium complex [Ru2(CO)6(mu-N,S-tsac)2] (1) is produced and whose ruthenium atoms are bridged by two tsac ligands that are oriented in a head-to-tail fashion. When this reaction is carried out at 66 C, the tri-, tetra- and penta-ruthenium complexes [H2Ru3(CO)7(mu-N,S-tsac)(mu-C,N?C6H4CNSO2)(mu3-S)] (2), [Ru4(CO)12(mu-N,S-tsac)2(mu4-S)] (3) and [H2Ru5(CO)13(mu-N,S-tsac)(mu-C,N?C6H4CNSO2)(mu3-S)(mu4-S)] (4), respectively, are also isolated in addition to 1. The triruthenium complex 2 exhibits an arachno SRu3 polyhedron containing edge-bridging tsac and C6H4CNSO2 ligands. The tetraruthenium complex 3 consists of two [Ru2(CO)6(mu-N,S-tsac)] fragments linked via a mu4-S ligand, while the pentaruthenium complex 4 is composed of individual Ru3 and Ru2 units linked via a mu4-S ligand. At 81 C, the same reaction furnishes the pentaruthenium complex [HRu5(CO)15(mu-N,S-tsac)(mu5-S)] (5) containing tsac and mu5-S bridging ligands. The molecular structures of the new complexes have been determined by single-crystal X-ray diffraction analyses, and the bonding in each product has been examined by DFT.

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Vibrational analysis of thiosaccharin and thiosaccharinate anion. A gradient-corrected density functional and experimental study

A gradient-corrected density functional (DFT) study of thiosaccharin molecule and of the corresponding nitranion was carried out using various combinations of exchange and correlation functionals, with a special emphasis on the vibrational analysis of the studied species. The employed DFT methodologies included the B3LYP, mPW1PW91, HCTH and the OLYP combinations of functionals, using the 6-31+G(d,p) basis set for orbital expansion in solving the Kohn-Sham SCF equations. Full geometry optimizations of thiosaccharin molecule and the corresponding nitranion were carried out employing Schlegel’s gradient optimization algorithm. Subsequently, harmonic vibrational analyses were carried out for the minima located on the corresponding molecular/ionic potential energy hypersurfaces. Also, Fourier transform infrared (FT IR) spectra of thiosaccharin and a series of metal thiosaccharinates (those of Na, K, Mg, Mn, Co, Ni, Cu, Zn, Cd, Hg and Pb) were recorded at room and liquid nitrogen boiling temperature. Experimental FT IR vibrational spectra of the studied systems were analyzed in the light of the computed density functional harmonic force fields for free thiosaccharin molecule and its nitranion. The performances of various DFT methodologies employed were compared.

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Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Application of 27148-03-4. In my other articles, you can also check out more blogs about 27148-03-4

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Structural study of thiosaccharin by single crystal X-ray diffraction and infrared spectroscopy

The structure of thiosaccharin (1,2-benzisothiazol-3(2H)-thione 1,1-dioxide) has been investigated by X-ray diffraction and infrared spectroscopic methods.The compound crystallizes in the orthorhombic space group Fdd2 with a = 26.591(3), b = 25.058(3), c = 4.934(5) Angstroem, Z = 16.The structure consists of thiosaccharin molecules bonded to each other through N-H<*>O intermolecular hydrogen bonds.The infrared spectra of the thiosaccharin at room and liquid-nitrogen temperature were recorded.The spectral features in the N-H stretching region were correlated with the crystallographic data on the geometry of the N-H<*>O hydrogen bonding.In an attempt to assign the bands due to the SO2 stretching modes, the spectrum of thiosaccharin was compared with that of saccharin (1,2-benzoisothiazole-3(2H)-one, 1,1-dioxide.KEY WORDS: Thiosaccharin, infrared spectra, crystal structure polymorphs.

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Isothiazole – Wikipedia,
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We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 27148-03-4, and how the biochemistry of the body works.Computed Properties of C7H5NO2S2

In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 27148-03-4, name is Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, introducing its new discovery. Computed Properties of C7H5NO2S2

Unusual coordination in a silver thionate complex. Synthesis, structural characterization and theoretical calculations of dinuclear and polynuclear silver(I) thiosaccharinates with pyridine and 1,10-phenanthroline

Treatment of Ag6(tsac)6 (tsac = thiosaccharinate anion) with pyridine (py) and 1,10-phenanthroline (o-phen) each affords two novel silver(I)-thiosaccharinate complexes: dinuclear [Ag2(tsac)2py] (1) and polynuclear [Ag(tsac)(o-phen)]n (2). Both crystal structures have been determined by X-ray diffraction and spectroscopic structural analysis (IR and Raman, UV-Vis, 1H and 13C NMR) have also been made for both compounds. Thermal stability analysis (TGA and DTA) of complex 1 are used to confirm the strength of the pyridine coordination to the silver ion. The molecular structure of complex 1 shows some astonishing characteristics. The two silver atoms are in different environments: one of them is surrounded by two S atoms, while the other completes its coordination sphere by three N atoms, two from the thiosaccharinate anions and the third from a pyridine molecule. The short Ag(1)-Ag(2) contact distance, 2.9681(8) A, indicates an interaction between the two silver metal atoms exists. Complex 2 shows a thiosaccharinate molecule bridging two silver atoms through the exocyclic S atom while the o-phenanthroline ligand is coordinated as a bidentate N,N chelate, forming a polynuclear chain. Quantum chemical calculations confirm the argentophilic character of the Ag-Ag interaction in complex 1, and its structure and vibrational assignments were correlated and confirmed theoretically.

We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 27148-03-4, and how the biochemistry of the body works.Computed Properties of C7H5NO2S2

Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com