4-Allyl-5-Benzyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 21358-12-3]

Identification

• Name: 4-Allyl-5-Benzyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-allyl-5-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-Allyl-5-benzyl-4H-[1,2,4]triazole-3-thiol; 4-allyl-5-benzyl-4H-1,2,4-triazol-3-yl hydrosulfide
• Molecular Formula: C₁₂H₁₃N₃S
• Molecular Weight: 231.32
• CAS Registry Number: 21358-12-3
• SMILES: C=CCN1C(=NN=C1S)CC2=CC=CC=C2
• InChI: 1S/C12H13N3S/c1-2-8-15-11(13-14-12(15)16)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,16)
• InChIKey: IFFJEOWRCIYOCQ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 409.9±48.0°C at 760 mmHg (Cal.)
• Flash point: 201.7±29.6°C (Cal.)
• Refractive index: 1.629 (Cal.)

Safety Data

• Safety Description: IRRITANT