Chemistry graduates have much scope to use their knowledge in a range of research sectors, including roles within chemical engineering, chemical and related industries, healthcare and more. 2051-95-8, Name is 3-Benzoylpropionicacid, molecular formula is C10H10O3, Product Details of 2051-95-8, belongs to isothiazole compound, is a common compound. In a patnet, author is ROZAS, I, once mentioned the new application about 2051-95-8.
Owing to the importance of the concept of aromaticity, different indices have been developed to try to quantify this property. The possible pi-delocalization through an X-SOn-X group (X = C, N; n = 0, 1 or 2) could explain heteroaromaticity in rings containing the moiety. For that reason, the aromaticity of five-membered sulphur-containing rings with different oxidation numbers (S, SO and SO2) and including no (thiophene), one (isothiazole) or two (1,2,5-thiadiazole) adjacent atoms was investigated. Ab initio calculations were carried out to determine geometrical parameters (planarity of the ring, bond length and bond order), electronic structure (charge distribution and dipolar moment) and the participation of d-orbitals of sulphur. According to these calculations, only compounds with S(II) can be considered to be aromatic, whereas compounds bearing S(IV) or S(VI) are better described as ylides.
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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com