5-[(3,5-Dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
[CAS# 667413-37-8]

Identification

• Name: 5-[(3,5-Dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-(3,5-Dimethyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol; 5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiol; 5-[(3,5-Dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₂H₁₅N₃OS
• Molecular Weight: 249.33
• CAS Registry Number: 667413-37-8
• SMILES: CC1=CC(=CC(=C1)OCC2=NN=C(N2C)S)C
• InChI: 1S/C12H15N3OS/c1-8-4-9(2)6-10(5-8)16-7-11-13-14-12(17)15(11)3/h4-6H,7H2,1-3H3,(H,14,17)
• InChIKey: LQLFVZTUJLBZGP-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 446.0±47.0°C at 760 mmHg (Cal.)
• Flash point: 223.6±29.3°C (Cal.)
• Refractive index: 1.622 (Cal.)

Safety Data

• Safety Description: IRRITANT