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Molecules 2000, 5(3), 445-446; doi:10.3390/50300445

3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation?

1
Facultad de Química, Universidad de La Habana, Cuba
2
Instituto Superior de Ciencias y Tecnologías Nucleares, Cuba
3
Depto. de Química Orgánica, Facultad de Ciencias Exactas y Naturales Universidad de Buenos Aires, Argentina
*
Author to whom correspondence should be addressed.
Published: 22 March 2000
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Abstract

We report a study of 3,3-dimethyl substituted acylthioureas. X ray data and quantum mechanical calculations demonstrated that the "S" conformation is the most stable both for the acylthioureas and the corresponding anions. The high regioselectivity towards S-alkylation is explained on the basis of the localization of the HOMO mainly over the sulfur atom.
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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MDPI and ACS Style

Sosa, M.; Piris, M.; Burton, G. 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation? Molecules 2000, 5, 445-446.

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