NMR analysis of thione-thiol tautomerization of a triazine derivative in the solid state and in acetone solution

Abstract

The important dental material referred to as 6-[(4-vinylbenzyl)propylamino]-1,3,5-triazine-2,4-dithione (VBATDT), which may have the thione-thiol tautomerization, was confirmed for the first time to have the dithione structure in the solid state by using 15N CP/MAS NMR with the dipolar dephasing technique. VBATDT was also shown to have the dithione structure in acetone solution by comparison of the 13C NMR spectrum with the corresponding solid state spectrum.