5-Pyridin-4-Yl-4-O-Tolyl-4H-[1,2,4]Triazole-3-Thiol
[CAS# 16629-41-7]

Identification

• Name: 5-Pyridin-4-Yl-4-O-Tolyl-4H-[1,2,4]Triazole-3-Thiol
• Synonyms: 4-(2-Methylphenyl)-5-(4-Pyridyl)-2H-1,2,4-Triazole-3-Thione; 4-(2-Methylphenyl)-5-(4-Pyridinyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione; Mls000050578
• Molecular Formula: C₁₄H₁₂N₄S
• Molecular Weight: 268.34
• CAS Registry Number: 16629-41-7
• SMILES: C3=C(C1=NNC(N1C2=C(C)C=CC=C2)=S)C=CN=C3
• InChI: 1S/C14H12N4S/c1-10-4-2-3-5-12(10)18-13(16-17-14(18)19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)
• InChIKey: VDOCMXPONDDKGI-UHFFFAOYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 400.548°C at 760 mmHg (Cal.)
• Flash point: 196.045°C (Cal.)