In an article, author is Abdelmalek, O., once mentioned the application of 1719-19-3, Name is 2-Methyl-4-phenylbut-3-yn-2-ol, molecular formula is C11H12O, molecular weight is 160.21, MDL number is MFCD00041572, category is isothiazole. Now introduce a scientific discovery about this category, SDS of cas: 1719-19-3.
Geometric and Electronic Structure of Isoxazole and Isothiazole Derivatives by PM3 and Density Functional Theory
The geometric and electronic structure of isoxazole and isothiazole and the effect of methyl group substitution in isoxazole and isothiazole derivatives have been studied by PM3 method and density functional theory. In the present work, the calculated values, namely net charges, bond length, dipole moments, ionization potentials, electron-affinities and heats of formation are reported and discussed in terms. of the reactivity of isoxazole and isothiazole derivatives.
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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com