4-Allyl-5-Cyclohexyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 590376-61-7]

Identification

• Name: 4-Allyl-5-Cyclohexyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Allyl-5-cyclohexyl-4H-[1,2,4]triazole-3-thiol; 5-cyclohexyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-cyclohexyl-4-prop-2-enyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₁H₁₇N₃S
• Molecular Weight: 223.34
• CAS Registry Number: 590376-61-7
• SMILES: C=CCN1C(=NN=C1S)C2CCCCC2
• InChI: 1S/C11H17N3S/c1-2-8-14-10(12-13-11(14)15)9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H,13,15)
• InChIKey: BCLVTKWIMAUZQF-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 376.8±35.0°C at 760 mmHg (Cal.)
• Flash point: 181.7±25.9°C (Cal.)
• Refractive index: 1.643 (Cal.)

Safety Data

• Safety Description: IRRITANT