5-[(4-Methoxyphenoxy)Methyl]-4-Methyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 485339-93-3]

Identification

• Name: 5-[(4-Methoxyphenoxy)Methyl]-4-Methyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(4-Methoxy-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol; 5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiol; 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
• Molecular Formula: C₁₁H₁₃N₃O₂S
• Molecular Weight: 251.30
• CAS Registry Number: 485339-93-3
• SMILES: CN1C(=NN=C1S)COC2=CC=C(C=C2)OC
• InChI: 1S/C11H13N3O2S/c1-14-10(12-13-11(14)17)7-16-9-5-3-8(15-2)4-6-9/h3-6H,7H2,1-2H3,(H,13,17)
• InChIKey: NZMQXAVVJCNYRY-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 454.7±51.0°C at 760 mmHg (Cal.)
• Flash point: 228.8±30.4°C (Cal.)
• Refractive index: 1.622 (Cal.)

Safety Data

• Safety Description: IRRITANT