5-(4-Biphenoxymethyl)-1-(4-Methoxyphenyl)-S-Triazole-2-Thiol
[CAS# 68869-48-7]

Identification

• Name: 5-(4-Biphenoxymethyl)-1-(4-Methoxyphenyl)-S-Triazole-2-Thiol
• Synonyms: 5-(4-Biphenoxymethyl)-1-(4-Methoxyphenyl)-1H-1,2,4-Triazole-2-Thiol; S-Triazole-2-Thiol, 5-(4-Biphenoxymethyl)-1-(P-Methoxyphenyl)-; 3H-1,2,4-Triazole-3-Thione, 2,4-Dihydro-5-((1,1'-Biphenyl-4-Yloxy)Methyl)-4-(4-Methoxyphenyl)-
• Molecular Formula: C₂₂H₁₉N₃O₂S
• Molecular Weight: 389.47
• CAS Registry Number: 68869-48-7
• SMILES: C1=CC(=CC=C1N2C(NN=C2COC3=CC=C(C=C3)C4=CC=CC=C4)=S)OC
• InChI: 1S/C22H19N3O2S/c1-26-19-13-9-18(10-14-19)25-21(23-24-22(25)28)15-27-20-11-7-17(8-12-20)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,24,28)
• InChIKey: XBNFFJTVZJGWLM-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 562.848°C at 760 mmHg (Cal.)
• Flash point: 294.2°C (Cal.)