4-Methyl-5-{[4-(2-Methyl-2-Propanyl)Phenoxy]Methyl}-4H-1,2,4-Triazole-3-Thiol
[CAS# 588673-50-1]

Identification

• Name: 4-Methyl-5-{[4-(2-Methyl-2-Propanyl)Phenoxy]Methyl}-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-[(4-tert-butylphenoxy)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-[(4-tert-Butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol; 5-{[4-(tert-butyl)phenoxy]methyl}-4-methyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₄H₁₉N₃OS
• Molecular Weight: 277.39
• CAS Registry Number: 588673-50-1
• SMILES: CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)S
• InChI: 1S/C14H19N3OS/c1-14(2,3)10-5-7-11(8-6-10)18-9-12-15-16-13(19)17(12)4/h5-8H,9H2,1-4H3,(H,16,19)
• InChIKey: VFJHCIUJARGAOD-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 444.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 222.4±31.5°C (Cal.)
• Refractive index: 1.591 (Cal.)

Safety Data

• Safety Description: IRRITANT