5-(Phenoxymethyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 21358-13-4]

Identification

• Name: 5-(Phenoxymethyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: [1,2,4]triazole-3-thiol; 4-phenyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiol; 5-(phenoxymethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₅H₁₃N₃OS
• Molecular Weight: 283.35
• CAS Registry Number: 21358-13-4
• SMILES: C1=CC=C(C=C1)N2C(=NN=C2S)COC3=CC=CC=C3
• InChI: 1S/C15H13N3OS/c20-15-17-16-14(11-19-13-9-5-2-6-10-13)18(15)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)
• InChIKey: CQOIKLYYYATDDP-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 493.4±47.0°C at 760 mmHg (Cal.)
• Flash point: 252.2±29.3°C (Cal.)
• Refractive index: 1.661 (Cal.)

Safety Data

• Safety Description: IRRITANT