4-Allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
[CAS# 88614-18-0]

Identification

• Name: 4-Allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-Allyl-5-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol; 4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide; 5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₂H₁₃N₃OS
• Molecular Weight: 247.32
• CAS Registry Number: 88614-18-0
• SMILES: COC1=CC=C(C=C1)C2=NN=C(N2CC=C)S
• InChI: 1S/C12H13N3OS/c1-3-8-15-11(13-14-12(15)17)9-4-6-10(16-2)7-5-9/h3-7H,1,8H2,2H3,(H,14,17)
• InChIKey: MVQQXNAKPPUALI-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 418.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 207.1±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT