5-(4-Biphenoxymethyl)-1-(m-Tolyl)-S-Triazole-2-Thiol
[CAS# 68869-45-4]

Identification

• Name: 5-(4-Biphenoxymethyl)-1-(m-Tolyl)-S-Triazole-2-Thiol
• Synonyms: 3H-1,2,4-Triazole-3-Thione, 2,4-Dihydro-5-((1,1'-Biphenyl-4-Yloxy)Methyl)-4-(3-Methylphenyl)-; 5-(4-Biphenoxymethyl)-1-(3-Methylphenyl)-1H-1,2,4-Triazole-2-Thiol; 5-(4-Biphenoxymethyl)-1-(M-Tolyl)-S-Triazole-2-Thiol
• Molecular Formula: C₂₂H₁₉N₃OS
• Molecular Weight: 373.47
• CAS Registry Number: 68869-45-4
• SMILES: C1=C(C=CC=C1N2C(NN=C2COC3=CC=C(C=C3)C4=CC=CC=C4)=S)C
• InChI: 1S/C22H19N3OS/c1-16-6-5-9-19(14-16)25-21(23-24-22(25)27)15-26-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,27)
• InChIKey: JWXBQBITMUTSJY-UHFFFAOYSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 543.675°C at 760 mmHg (Cal.)
• Flash point: 282.605°C (Cal.)