4-Benzyl-5-Pyridin-4-Yl-4H-[1,2,4]Triazole-3-Thiol
[CAS# 74270-78-3]

Identification

• Name: 4-Benzyl-5-Pyridin-4-Yl-4H-[1,2,4]Triazole-3-Thiol
• Synonyms: 4-(Phenylmethyl)-5-(4-Pyridyl)-2H-1,2,4-Triazole-3-Thione; 4-(Benzyl)-5-(4-Pyridyl)-2H-1,2,4-Triazole-3-Thione; 4H-1,2,4-Triazole-3-Thiol, 4-(Phenylmethyl)-5-(4-Pyridinyl)-
• Molecular Formula: C₁₄H₁₂N₄S
• Molecular Weight: 268.34
• CAS Registry Number: 74270-78-3
• SMILES: C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=NC=C3
• InChI: 1S/C14H12N4S/c19-14-17-16-13(12-6-8-15-9-7-12)18(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
• InChIKey: CPPAKJNMGGTEHY-UHFFFAOYSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 417.505°C at 760 mmHg (Cal.)
• Flash point: 206.3°C (Cal.)