5-(4-Biphenylyloxymethyl)-1-(2-Methoxyphenyl)-S-Triazole-2-Thiol
[CAS# 68869-47-6]

Identification

• Name: 5-(4-Biphenylyloxymethyl)-1-(2-Methoxyphenyl)-S-Triazole-2-Thiol
• Synonyms: S-Triazole-2-Thiol, 5-(4-Biphenylyloxymethyl)-1-(O-Methoxyphenyl)-; 3H-1,2,4-Triazole-3-Thione, 2,4-Dihydro-5-((1,1'-Biphenyl-4-Yloxy)Methyl)-4-(2-Methoxyphenyl)-; 5-(4-Biphenoxymethyl)-1-(2-Methoxyphenyl)-1H-1,2,4-Triazole-2-Thiol
• Molecular Formula: C₂₂H₁₉N₃O₂S
• Molecular Weight: 389.47
• CAS Registry Number: 68869-47-6
• SMILES: C1=C(C(=CC=C1)N2C(NN=C2COC3=CC=C(C=C3)C4=CC=CC=C4)=S)OC
• InChI: 1S/C22H19N3O2S/c1-26-20-10-6-5-9-19(20)25-21(23-24-22(25)28)15-27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,28)
• InChIKey: XJDXOPNJXWIUSI-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 550.489°C at 760 mmHg (Cal.)
• Flash point: 286.725°C (Cal.)