5-(3,4-Dimethoxyphenyl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 174573-92-3]

Identification

• Name: 5-(3,4-Dimethoxyphenyl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 1,2,4-triazole-3-thiol; 5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole-3-thiol; 5-(3,4-dimethoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₁H₁₃N₃O₂S
• Molecular Weight: 251.30
• CAS Registry Number: 174573-92-3
• SMILES: CN1C(=NN=C1S)C2=CC(=C(C=C2)OC)OC
• InChI: 1S/C11H13N3O2S/c1-14-10(12-13-11(14)17)7-4-5-8(15-2)9(6-7)16-3/h4-6H,1-3H3,(H,13,17)
• InChIKey: JLQMWNZTYYWAPS-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 425.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 211.2±31.5°C (Cal.)
• Refractive index: 1.624 (Cal.)

Safety Data

• Safety Description: IRRITANT