5-(3,4-Dimethoxyphenyl)-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 122772-20-7]

Identification

• Name: 5-(3,4-Dimethoxyphenyl)-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazole-3-thiol; 5-(3,4-dimethoxyphenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-(3,4-Dimethoxy-phenyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₂H₁₅N₃O₂S
• Molecular Weight: 265.33
• CAS Registry Number: 122772-20-7
• SMILES: CCN1C(=NN=C1S)C2=CC(=C(C=C2)OC)OC
• InChI: 1S/C12H15N3O2S/c1-4-15-11(13-14-12(15)18)8-5-6-9(16-2)10(7-8)17-3/h5-7H,4H2,1-3H3,(H,14,18)
• InChIKey: VNNWZCWDOJBXTQ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 435.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 216.9±31.5°C (Cal.)
• Refractive index: 1.612 (Cal.)

Safety Data

• Safety Description: IRRITANT