4-Allyl-5-(Phenoxymethyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 21358-15-6]

Identification

• Name: 4-Allyl-5-(Phenoxymethyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-allyl-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-thiol; 4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl hydrosulfide
• Molecular Formula: C₁₂H₁₃N₃OS
• Molecular Weight: 247.32
• CAS Registry Number: 21358-15-6
• SMILES: C=CCN1C(=NN=C1S)COC2=CC=CC=C2
• InChI: 1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)9-16-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)
• InChIKey: NIAYRNAJFNFAIP-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 431.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 214.5±31.5°C (Cal.)
• Refractive index: 1.619 (Cal.)

Safety Data

• Safety Description: IRRITANT