Structure and reactivity of benzothiazole-2-thione polysulfides

A quantum-chemical study was made of the possibility of the formation of polysulfides from benzothiazole-2-thione and their structure. The reactivity indices of the benzothiazole-2-thione molecule and of the small sulfur fragments were calculated. It was shown that as the fragments approach each other the formation of polysulfide structures with increased reactivity becomes possible.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 26, No. 1, pp. 73–78, January–February, 1990.