Features of the Structure of 2,5-Dimercapto-1,3,4-Tihadiazole

For the first time, using quantum chemical analysis, the structure of 2,5-dimercapto-1,3,4-thiadiazole was proposed, which is described by a single formula in the form of three putative isomers, which is a crystalline tribasic RS–H Brensted acid formed solely by hydrogen bonds involving four nitrogen atoms and three sulfur atoms, which is confirmed by X-ray diffraction analysis and FTIR spectra. These structural features must be considered in the production technology of the target product.