4-Ethyl-5-[4-(2-Methyl-2-Propanyl)Phenyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 174573-98-9]

Identification

• Name: 4-Ethyl-5-[4-(2-Methyl-2-Propanyl)Phenyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(4-tert-Butyl-phenyl)-4-ethyl-2,4-dihydro-[1,2,4]triazole-3-thione; 5-(4-tert-Butyl-phenyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol; 5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl hydrosulfide
• Molecular Formula: C₁₄H₁₉N₃S
• Molecular Weight: 261.39
• CAS Registry Number: 174573-98-9
• SMILES: CCN1C(=NN=C1S)C2=CC=C(C=C2)C(C)(C)C
• InChI: 1S/C14H19N3S/c1-5-17-12(15-16-13(17)18)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3,(H,16,18)
• InChIKey: KXFYXFVWCIUKDR-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 401.5±38.0°C at 760 mmHg (Cal.)
• Flash point: 196.6±26.8°C (Cal.)
• Refractive index: 1.599 (Cal.)

Safety Data

• Safety Description: IRRITANT