5-(4-Biphenylyloxymethyl)-1-(3,4-Dimethylphenyl)-S-Triazole-2-Thiol
[CAS# 68869-55-6]

Identification

• Name: 5-(4-Biphenylyloxymethyl)-1-(3,4-Dimethylphenyl)-S-Triazole-2-Thiol
• Synonyms: S-Triazole-2-Thiol, 5-(4-Biphenylyloxymethyl)-1-(3,4-Dimethylphenyl)-; 3H-1,2,4-Triazole-3-Thione, 2,4-Dihydro-5-(1,1'-Biphenyl-4-Yloxymethyl)-4-(3,4-Xylyl)-; 5-(4-Biphenoxymethyl)-1-(3,4-Dimethylphenyl)-1H-1,2,4-Triazole-2-Thiol
• Molecular Formula: C₂₃H₂₁N₃OS
• Molecular Weight: 387.50
• CAS Registry Number: 68869-55-6
• SMILES: C1=C(C(=CC=C1N2C(NN=C2COC3=CC=C(C=C3)C4=CC=CC=C4)=S)C)C
• InChI: 1S/C23H21N3OS/c1-16-8-11-20(14-17(16)2)26-22(24-25-23(26)28)15-27-21-12-9-19(10-13-21)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)
• InChIKey: KCPLMBIOTNXPIC-UHFFFAOYSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 560.728°C at 760 mmHg (Cal.)
• Flash point: 292.918°C (Cal.)