On the Lipophilicity of the 1,2-Dithiole-3-thione Nucleus

Autor:	Marie-Odile Christen, Meriem Bona, Jean-Louis Burgot
Rok vydání:	1995
Předmět:	1-Octanol Bicyclic molecule Chemistry Stereochemistry General Chemistry General Medicine Partition coefficient chemistry.chemical_compound medicine.anatomical_structure Computational chemistry 3h 1 2 dithiole 3 thione Drug Discovery Lipophilicity medicine Molecule Nucleus
Zdroj:	Chemical and Pharmaceutical Bulletin. 43:1894-1896
ISSN:	1347-5223 0009-2363
DOI:	10.1248/cpb.43.1894
Popis:	Lipophilicity of the 1, 2-dithiole-3-thione nucleus was studied by stepwise calculation of log P values of some dithiolethiones from fragmental lipophilic constants of suitable fragments composing the nucleus, and the results were compared with experimental values. Fragmental constants necessary for these calculations were determined from log P values of suitable molecules. The influence of conjugation between the different parts was investigated.Fragmental lipophilic constants of unusual thio-fragments were assessed.
Databáze:	OpenAIRE
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