4-Methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
[CAS# 77803-41-9]

Identification

• Name: 4-Methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiol; 4-Methyl-5-(3,4,5-trimethoxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione; 4-methyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₂H₁₅N₃O₃S
• Molecular Weight: 281.33
• CAS Registry Number: 77803-41-9
• SMILES: CN1C(=NN=C1S)C2=CC(=C(C(=C2)OC)OC)OC
• InChI: 1S/C12H15N3O3S/c1-15-11(13-14-12(15)19)7-5-8(16-2)10(18-4)9(6-7)17-3/h5-6H,1-4H3,(H,14,19)
• InChIKey: KZMMIESIWSAKOO-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 455.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 229.0±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT