5-[(3,5-Dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
[CAS# 667413-42-5]

Identification

• Name: 5-[(3,5-Dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-(3,5-Dimethyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol; 5-[(3,5-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiol; 5-[(3,5-Dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₃H₁₇N₃OS
• Molecular Weight: 263.36
• CAS Registry Number: 667413-42-5
• SMILES: CCN1C(=NN=C1S)COC2=CC(=CC(=C2)C)C
• InChI: 1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)8-17-11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H,15,18)
• InChIKey: KLWQAJFLTRDFOU-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 454.9±47.0°C at 760 mmHg (Cal.)
• Flash point: 228.9±29.3°C (Cal.)
• Refractive index: 1.611 (Cal.)

Safety Data

• Safety Description: IRRITANT