4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
[CAS# 93378-58-6]

Identification

• Name: 4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-allyl-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide; 4-Allyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-
• Molecular Formula: C₁₂H₁₃N₃S
• Molecular Weight: 231.32
• CAS Registry Number: 93378-58-6
• SMILES: CC1=CC=C(C=C1)C2=NN=C(N2CC=C)S
• InChI: 1S/C12H13N3S/c1-3-8-15-11(13-14-12(15)16)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3,(H,14,16)
• InChIKey: ZHSGDTYCPUCKAU-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 394.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 192.2±28.7°C (Cal.)

Safety Data

• Safety Description: IRRITANT