5-(3-Methoxyphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 174573-90-1]

Identification

• Name: 5-(3-Methoxyphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: [1,2,4]triazole-3-thiol; 3-(3-Methoxyphenyl)-4-phenyl-1,2,4-triazoline-5-thione; 5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₅H₁₃N₃OS
• Molecular Weight: 283.35
• CAS Registry Number: 174573-90-1
• SMILES: COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)S
• InChI: 1S/C15H13N3OS/c1-19-13-9-5-6-11(10-13)14-16-17-15(20)18(14)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,20)
• InChIKey: BZWWZZJEHWWCAE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 490.0±47.0°C at 760 mmHg (Cal.)
• Flash point: 250.1±29.3°C (Cal.)
• Refractive index: 1.663 (Cal.)

Safety Data

• Safety Description: IRRITANT