4-Allyl-5-(3-Methylphenyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 54995-51-6]

Identification

• Name: 4-Allyl-5-(3-Methylphenyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-allyl-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide; 4-Allyl-5-m-tolyl-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₂H₁₃N₃S
• Molecular Weight: 231.32
• CAS Registry Number: 54995-51-6
• SMILES: CC1=CC(=CC=C1)C2=NN=C(N2CC=C)S
• InChI: 1S/C12H13N3S/c1-3-7-15-11(13-14-12(15)16)10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3,(H,14,16)
• InChIKey: AGGUEVUAPLNPMU-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 405.6±48.0°C at 760 mmHg (Cal.)
• Flash point: 199.1±29.6°C (Cal.)

Safety Data

• Safety Description: IRRITANT