4-Ethyl-5-(4-Methoxybenzyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 590354-46-4]

Identification

• Name: 4-Ethyl-5-(4-Methoxybenzyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Ethyl-5-(4-methoxy-benzyl)-4H-[1,2,4]triazole-3-thiol; 4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl hydrosulfide; 4-Ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₂H₁₅N₃OS
• Molecular Weight: 249.33
• CAS Registry Number: 590354-46-4
• SMILES: CCN1C(=NN=C1S)CC2=CC=C(C=C2)OC
• InChI: 1S/C12H15N3OS/c1-3-15-11(13-14-12(15)17)8-9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,14,17)
• InChIKey: CSMPQKIFNWIWBE-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 437.4±47.0°C at 760 mmHg (Cal.)
• Flash point: 218.4±29.3°C (Cal.)
• Refractive index: 1.62 (Cal.)

Safety Data

• Safety Description: IRRITANT