5-(4-Biphenoxymethyl)-1-(4-Ethoxyphenyl)-S-Triazole-2-Thiol
[CAS# 68869-53-4]

Identification

• Name: 5-(4-Biphenoxymethyl)-1-(4-Ethoxyphenyl)-S-Triazole-2-Thiol
• Synonyms: S-Triazole-2-Thiol, 5-(4-Biphenoxymethyl)-1-(P-Ethoxyphenyl)-; 3H-1,2,4-Triazole-3-Thione, 2,4-Dihydro-5-((1,1'-Biphenyl-4-Yloxy)Methyl)-4-(4-Ethoxyphenyl)-; 5-(4-Biphenoxymethyl)-1-(P-Ethoxyphenyl)-1H-1,2,4-Triazole-2-Thiol
• Molecular Formula: C₂₃H₂₁N₃O₂S
• Molecular Weight: 403.50
• CAS Registry Number: 68869-53-4
• SMILES: C1=CC(=CC=C1N2C(NN=C2COC3=CC=C(C=C3)C4=CC=CC=C4)=S)OCC
• InChI: 1S/C23H21N3O2S/c1-2-27-20-14-10-19(11-15-20)26-22(24-25-23(26)29)16-28-21-12-8-18(9-13-21)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,29)
• InChIKey: XZLLLTXLIXILGW-UHFFFAOYSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 571.69°C at 760 mmHg (Cal.)
• Flash point: 299.547°C (Cal.)