4-Allyl-5-Cyclopropyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 443917-88-2]

Identification

• Name: 4-Allyl-5-Cyclopropyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 3-cyclopropyl-4-prop-2-enyl-1,2,4-triazoline-5-thione; 5-cyclopropyl-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₈H₁₁N₃S
• Molecular Weight: 181.26
• CAS Registry Number: 443917-88-2
• SMILES: C=CCN1C(=NN=C1S)C2CC2
• InChI: 1S/C8H11N3S/c1-2-5-11-7(6-3-4-6)9-10-8(11)12/h2,6H,1,3-5H2,(H,10,12)
• InChIKey: RNUJNNAYOBDOLY-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 334.5±35.0°C at 760 mmHg (Cal.)
• Flash point: 156.1±25.9°C (Cal.)
• Refractive index: 1.707 (Cal.)

Safety Data

• Safety Description: IRRITANT