5-Benzyl-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 31405-22-8]

Identification

• Name: 5-Benzyl-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-ethyl-5-benzyl-1,2,4-triazole-3-thiol; 5-benzyl-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-Benzyl-4-ethyl-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₁H₁₃N₃S
• Molecular Weight: 219.31
• CAS Registry Number: 31405-22-8
• SMILES: CCN1C(=NN=C1S)CC2=CC=CC=C2
• InChI: 1S/C11H13N3S/c1-2-14-10(12-13-11(14)15)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15)
• InChIKey: GMKFDKUHIRAVBS-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 400.3±38.0°C at 760 mmHg (Cal.)
• Flash point: 195.9±26.8°C (Cal.)

Safety Data

• Safety Description: IRRITANT