4-Ethyl-5-(5-Phenyl-Tetrazol-2-Ylmethyl)-4H-[1,2,4]Triazole-3-Thiol
[CAS# 436092-66-9]

Identification

• Name: 4-Ethyl-5-(5-Phenyl-Tetrazol-2-Ylmethyl)-4H-[1,2,4]Triazole-3-Thiol
• Synonyms: 4-Ethyl-5-[(5-Phenyl-2-Tetrazolyl)Methyl]-2H-1,2,4-Triazole-3-Thione; 4-Ethyl-5-[(5-Phenyl-1,2,3,4-Tetrazol-2-Yl)Methyl]-2H-1,2,4-Triazole-3-Thione; Oprea1_497287
• Molecular Formula: C₁₂H₁₃N₇S
• Molecular Weight: 287.34
• CAS Registry Number: 436092-66-9
• SMILES: C3=C(C1=N[N](N=N1)CC2=NNC(=S)N2CC)C=CC=C3
• InChI: 1S/C12H13N7S/c1-2-18-10(13-15-12(18)20)8-19-16-11(14-17-19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,20)
• InChIKey: JMBQRZWXQXCCGV-UHFFFAOYSA-N

Properties

• Density: 1.487g/cm³ (Cal.)
• Boiling point: 452.051°C at 760 mmHg (Cal.)
• Flash point: 227.192°C (Cal.)