4-Allyl-5-[4-(2-Methyl-2-Propanyl)Phenyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 312290-54-3]

Identification

• Name: 4-Allyl-5-[4-(2-Methyl-2-Propanyl)Phenyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Allyl-5-(4-tert-butyl-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione; 4-Allyl-5-(4-tert-butyl-phenyl)-4H-[1,2,4]triazole-3-thiol; 5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₅H₁₉N₃S
• Molecular Weight: 273.40
• CAS Registry Number: 312290-54-3
• SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)S
• InChI: 1S/C15H19N3S/c1-5-10-18-13(16-17-14(18)19)11-6-8-12(9-7-11)15(2,3)4/h5-9H,1,10H2,2-4H3,(H,17,19)
• InChIKey: DWHZDECQMUUDJV-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 412.7±48.0°C at 760 mmHg (Cal.)
• Flash point: 203.4±29.6°C (Cal.)
• Refractive index: 1.591 (Cal.)

Safety Data

• Safety Description: IRRITANT