4-Ethyl-5-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
[CAS# 667437-94-7]

Identification

• Name: 4-Ethyl-5-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(4-tert-Butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol; 5-{[4-(tert-butyl)phenoxy]methyl}-4-ethyl-1,2,4-triazole-3-thiol; MFCD03900742
• Molecular Formula: C₁₅H₂₁N₃OS
• Molecular Weight: 291.41
• CAS Registry Number: 667437-94-7
• SMILES: CCN1C(=NN=C1S)COC2=CC=C(C=C2)C(C)(C)C
• InChI: 1S/C15H21N3OS/c1-5-18-13(16-17-14(18)20)10-19-12-8-6-11(7-9-12)15(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,20)
• InChIKey: IQQXSXOCDIOQST-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 455.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 229.0±31.5°C (Cal.)
• Refractive index: 1.584 (Cal.)

Safety Data

• Safety Description: IRRITANT