5-[(3,4-Dimethylphenoxy)Methyl]-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 588673-94-3]

Identification

• Name: 5-[(3,4-Dimethylphenoxy)Methyl]-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(3,4-Dimethyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol; 5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazole-3-thiol; 5-[(3,4-Dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₃H₁₇N₃OS
• Molecular Weight: 263.36
• CAS Registry Number: 588673-94-3
• SMILES: CCN1C(=NN=C1S)COC2=CC(=C(C=C2)C)C
• InChI: 1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)8-17-11-6-5-9(2)10(3)7-11/h5-7H,4,8H2,1-3H3,(H,15,18)
• InChIKey: CTXPCGMKEKORRJ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 457.5±47.0°C at 760 mmHg (Cal.)
• Flash point: 230.5±29.3°C (Cal.)
• Refractive index: 1.611 (Cal.)

Safety Data

• Safety Description: IRRITANT