Synthesis and Characterization of 1,3,4-Thiadiazole-2-Thione Prepared from New Derivatives of Thiosemiacarbazide and Study of its Molecular Modeling

Abstract

Thiosemicarbazide (GI₁) was synthesized by reacting 4-aminobenzoic acid with CS₂ and 80% aqueous hydrazine. The prepared thiosemicarbazide (GI₁) is then annularly closed with potassium hydroxide (KOH) and carbon disulfide (CS₂) in ethanol as a solvent to produce a compound 1,3,4-thiadiazole-2-thione (GI₂₇), which was diagnosed by physical and spectral methods (infrared spectrum (FT-IR), proton nuclear magnetic resonance spectrum (¹H-NMR), and carbon (¹³C-NMR), as well as their molecular modeling study.