5-(4-Biphenoxymethyl)-1-(4-Iodophenyl)-S-Triazole-2-Thiol
[CAS# 68869-51-2]

Identification

• Name: 5-(4-Biphenoxymethyl)-1-(4-Iodophenyl)-S-Triazole-2-Thiol
• Synonyms: S-Triazole-2-Thiol, 5-(4-Biphenoxymethyl)-1-(P-Iodophenyl)-; 3H-1,2,4-Triazole-3-Thione, 5-(((1,1'-Biphenyl)-4-Yloxy)Methyl)-2,4-Dihydro-4-(4-Iodophenyl)-; 5-(4-Biphenoxymethyl)-1-(4-Iodophenyl)-1H-1,2,4-Triazole-2-Thiol
• Molecular Formula: C₂₁H₁₆IN₃OS
• Molecular Weight: 485.34
• CAS Registry Number: 68869-51-2
• SMILES: C1=CC(=CC=C1N2C(NN=C2COC3=CC=C(C=C3)C4=CC=CC=C4)=S)I
• InChI: 1S/C21H16IN3OS/c22-17-8-10-18(11-9-17)25-20(23-24-21(25)27)14-26-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,27)
• InChIKey: AGLPBFNEXCXWBE-UHFFFAOYSA-N

Properties

• Density: 1.568g/cm³ (Cal.)
• Boiling point: 579.409°C at 760 mmHg (Cal.)
• Flash point: 304.216°C (Cal.)