4-(4-Bromophenyl)-5-(2-Furyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 60870-40-8]

Identification

• Name: 4-(4-Bromophenyl)-5-(2-Furyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-(4-bromophenyl)-5-(2-furyl)-1,2,4-triazole-3-thiol; 4-(4-bromophenyl)-5-(2-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide; 4-(4-bromophenyl)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₂H₈BrN₃OS
• Molecular Weight: 322.18
• CAS Registry Number: 60870-40-8
• SMILES: C1=COC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)S
• InChI: 1S/C12H8BrN3OS/c13-8-3-5-9(6-4-8)16-11(14-15-12(16)18)10-2-1-7-17-10/h1-7H,(H,15,18)
• InChIKey: LBURKGBEOJKOAH-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 472.5±51.0°C at 760 mmHg (Cal.)
• Flash point: 239.6±30.4°C (Cal.)