4-Isopropyl-5-Phenyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 26029-09-4]

Identification

• Name: 4-Isopropyl-5-Phenyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 4-(methylethyl)-5-phenyl-1,2,4-triazole-3-thiol; 4-isopropyl-5-phenyl-4H-1,2,4-triazole-3-thiol; 5-phenyl-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₁H₁₃N₃S
• Molecular Weight: 219.31
• CAS Registry Number: 26029-09-4
• SMILES: CC(C)n1c(nnc1S)c2ccccc2
• InChI: 1S/C11H13N3S/c1-8(2)14-10(12-13-11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,15)
• InChIKey: GYEMVRVUKFGVOL-UHFFFAOYSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 377.736°C at 760 mmHg (Cal.)
• Flash point: 182.249°C (Cal.)
• Refractive index: 1.644 (Cal.)