1,3-Dithiocyanatoacetone: improved synthesis, detailed structural studies and in silico docking studies

1,3-Dithiocyanatoacetone: improved synthesis, detailed structural studies and in silico docking studies

1,3-Dithiocyanatoacetone was prepared by reaction of 1,3-dichloroacetone with potassium thiocyanate in ethanol in almost quantitative yield. In contrast to the NMR spectra recorded in acetone-d6, NMR spectra of 1,3-dithiocyanatoacetone in DMSO-d6 solution revealed the presence of the enol form. The...

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Главные авторы:	Dotsenko, V. V., Доценко, В. В., Ovcharov, S. N., Овчаров, С. Н., Aksenov, N. A., Аксенов, Н. А., Aksenova, I. V., Аксенова, И. В.
Формат:	Статья
Язык:	English
Опубликовано:	Springer Science and Business Media B.V. 2024
Темы:	ADMET properties α-thiocyanato ketones DFT calculations Molecular docking Organic thiocyanates X-ray analysis
Online-ссылка:	https://dspace.ncfu.ru/handle/123456789/29209
Метки:	Добавить метку Нет меток, Требуется 1-ая метка записи!

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