4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
[CAS# 92286-36-7]

Identification

• Name: 4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-Allyl-5-(3-chlorophenyl)-4H-[1,2,4]triazole-3-thiol; 4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol; 5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₁H₁₀ClN₃S
• Molecular Weight: 251.74
• CAS Registry Number: 92286-36-7
• SMILES: C=CCN1C(=NN=C1S)C2=CC(=CC=C2)Cl
• InChI: 1S/C11H10ClN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)
• InChIKey: WPVJPFLNVCGFQS-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 420.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 208.2±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT