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High-resolution infrared analysis of seven fundamental bands of gaseous isothiazole between 750 and 1500 cm-1

The gas phase IR spectrum of isothiazole, C3H3NS, between 550 and 1700 cm-1 was recorded with a resolution of ca. 0.003 cm-1. The rotational structure of seven fundamental bands in the region 750-1500 cm-1 has been assigned and analysed by the Watson Hamiltonian model. A number of local resonances in the bands have been identified and explained qualitatively in terms of Coriolis interactions. For each band upper state spectroscopic constants, including band center, rotational constants, and quartic centrifugal distortion constants are given. From observed crossings due to resonances we locate the weak bands nu9(A?) and nu13(A?) at 1041.9(2) and 642.0(3) cm-1, respectively. The anharmonic frequencies have been determined using a cc-pVTZ basis set, at the MP2 and B3LYP levels; the two theoretical methods give very similar results for rotational constants, anharmonic band center frequencies and distortion constants, and many of these are in good agreement with experiment.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Structural activity relationship and importance of benzothiazole derivatives in medicinal chemistry: A comprehensive review

Benzothiazole (1, 3-benzothiazole) is one of the heterocyclic compounds, which is a weak base having varied biological activities. The unique methine center present in the thiazole ring makes benzothiazole as the most important heterocyclic compound. It is a common and integral structure of many natural and synthetic bioactive molecules. Benzothiazole derivatives show a variety of activi-ties, with less toxic effects and their derivatives showed enhanced activities, which has proven Ben-zothiazole scaffold as one of the important moieties in medicinal chemistry. Benzothiazole ring containing compounds possess various pharmacological activities such as anti-viral, anti-microbial, anti-allergic, anti-diabetic, anti-tumor, anti-inflammatory, anthelmitic and anti-cancer, which makes ben-zothiazole a rapidly developing and interesting compound in the medicinal chemistry. This review briefly explains the importance, common methods of synthesis of the benzothiazole scaffold and also explains the popular benzothiazole molecules which have applications in various fields of chemistry. A review has been carried out based on various pharmacological activities containing benzothiazole moieties and rationalize the activities based on the structural variations. Literature on benzothiazole derivatives reveals that substitution on the C-2 carbon atom and C-6 are the reasons for a variety of biological activities.

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

 

Archives for Chemistry Experiments of Isothiazole-3-carboxylic acid

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PYRAZOLE DERIVATIVES AS SGC STIMULATORS

There are described imidazole and pyrazole derivatives which are useful as stimulators of sGC, particularly NO-independent, heme-dependent stimulators. These compounds are also useful for treating, preventing or managing various disorders that are herein disclosed.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Evaluation of the efficiency and safety in cosmetic products

Chemicals used in cosmetics have to interact with enzymes for beneficial or destroy purpose after they enter in our body. Active sections of enzymes that catalyze reactions have three dimensions and they are active optically. When these limitations of catalytic sections are considered, it may be considered that defining geometric specifications of chemical materials and functional groups they contain may contribute on safety evaluations of cosmetic products. In this study, defining similarities and differences of geometric structures of chemicals that are prohibited to be used in cosmetic products and chemical that are allowed to be used by using group theory and analyze of functional groups that are often encountered in these chemicals are aimed. Molecule formulas related to chemical material of, 276 pieces chemicals that are prohibited to be used in cosmetic products and 65 pieces chemicals that are allowed, are used as the material. Two and three-dimension structures of these formulas are drawn and types and quantity of functional groups they contain are defined. And as a method, freeware (Free Trial) version of “Chem-BioOffice Ultra 13.0 Suite” chemical drawing program to draw two and three-dimension of formulas, “Campus-Licensed” version that are provided for use by our university of “Autodesk 3DS Max” for three-dimension drawings are used. In order to analyze geometric specifications of drawn molecules according to Group Theory and define type and quantity of available functional groups, Excel applications developed by Prof. Dr. Ya?ar Demir are used.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

New explortion of 6-Bromobenzo[d]isothiazole-3-carboxylic acid

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5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS

Compounds of Formula I are useful for inhibiting AKT protein kinases. Methods of using compounds of Formula I and stereoisomers and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed. Formula (I)

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Some scientific research about 3,4-Dichloroisothiazole-5-carboxylic acid

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Use of Sulphur-Containing Heteroaromatic Acid Analogues as Bactericides

The present invention relates to the use of compounds according to formula (I) for controlling bacterial harmful organisms in useful plants. Moreover, the present invention relates to a method for controlling bacterial harmful organisms in useful plants by treating them with compounds according to formula (I).

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Simple exploration of Isothiazole

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288-16-4, Name is Isothiazole, belongs to isothiazole compound, is a common compound. HPLC of Formula: C3H3NSIn an article, once mentioned the new application about 288-16-4.

Synthesis and investigations of the absorption spectra of hetarylazo disperse dyes derived from 2,4-quinolinediol

Synthesis of some novel hetarylazoquinoline dyes was achieved by diazotisation of nine heterocyclic amines using nitrosyl sulphuric acid, coupling with 2,4-quinolinediol. These dyes were characterized by UV-vis, FT-IR and 1H NMR spectroscopic techniques and elemental analysis. Visible absorption spectra of the dyes are discussed, both the effects of varying pH and solvent upon the absorption ability of azoquinolines. The colour of the dyes was discussed with respect to the nature of the heterocyclic ring and to the substituents therein. Temperature and concentration effects on the visible absorption maxima of the dyes are also reported.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Brief introduction of Benzo[d]isothiazole

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Characterization of Aroma Compounds in Two Meat Flavorings Prepared from Thermal Reaction of Enzymatic Hydrolysates of Black Pig and Common White Pig Meat Proteinss with Oxidized Lard

Meat flavorings were prepared by thermal reactions of enzymatic hydrolysates of black pig and common white pig (large white) meat proteins with oxidized lard. The volatile compounds of the two meat flavorings were analyzed by solvent assistant flavor distillation (SAFE) combined with gas chromatography and mass spectrometry (GC-MS). Based on retention indices and mass spectra, a total of 123 volatile compounds, including sulfur-containing compounds, nitrogencontaining heterocycles, oxygen-containing heterocycles, aldehydes, ketones, alcohols, acids, esters and hydrocarbons, were identified. In comparison, the white pig meat-derived flavoring had a greater percentage (relative to the total peak area) of alkyl furanes, aliphatic aldehydes and acids while the black pig meat-derived flavoring had a greater percentage of sulfur-containing compounds, nitrogen-containing heterocycles, and esters. However, their relative contents of ketones and alcohols were similar. Furthermore, by gas chromatography-olfactometry (GC-O), a total of 31 odor-active compounds were identified through comparison of their retention indices and odor characteristics with those of authentic standards. Among them, 28 compounds were common to two meat flavorings, and in particular dimethyltrisulfide, furfuryl mercaptan, 3-ethyl-2,5-dimethylpyrazine, 3-(methylthio) propanal,2-ethylthiophene,(E,E)-2,4-decadienal,(E)-2-decenal,(E)-2-nonenal,1-octen-3-ol and 3-hydroxy-2-butanone had high flavor dilution (FD) factors. However, the number of compounds with high FD values was greater in the black pig meat-derived flavoring than in the white pig meat-derived flavoring. Additionally, the spider-web plots for the potent odor-active compounds revealed that the black pig meat-derived flavoring had higher scores for meaty and fatty odors than the black pig meat-derived flavoring, which could explain why the black pig meat-derived flavoring had stronger meaty aroma than the black pig meat-derived flavoring.

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

 

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Synthesis, characterisation and application of disperse dyes derived from N-2-hydroxyethyl-l-naphthylamine

The synthesis and characterisation of a series of disperse dyes obtained by diazotisation of heterocyclic arylamines and coupling of these compounds with N-2-hydroxyethyl-1-naphthylamine are reported. The dyes were applied to cellulose acetate and their dyeing and fastness properties were assessed and summarised. The absorption spectra of the dyes are discussed, with regard to structure and substitution of the heterocyclic diazo component.

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

 

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A vascular endothelial growth factor inhibitor injection of the pharmaceutical composition (by machine translation)

The invention belongs to the field of medicine, in particular to inhibit VEGF salts of the compound of formula I of injection drug composition, in pharmaceutical use and pharmaceutical formulations, particularly with respect to the tumor, the treatment of angiogenesis. The invention also relates to the method for synthesizing the compounds. (by machine translation)

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com