4-Allyl-5-[(3-Methylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 331272-48-1]

Identification

• Name: 4-Allyl-5-[(3-Methylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Allyl-5-m-tolyloxymethyl-4H-[1,2,4]triazole-3-thiol; 5-[(3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₃H₁₅N₃OS
• Molecular Weight: 261.34
• CAS Registry Number: 331272-48-1
• SMILES: CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)S
• InChI: 1S/C13H15N3OS/c1-3-7-16-12(14-15-13(16)18)9-17-11-6-4-5-10(2)8-11/h3-6,8H,1,7,9H2,2H3,(H,15,18)
• InChIKey: DZKXSFKUJGREGM-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 448.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 224.9±31.5°C (Cal.)
• Refractive index: 1.61 (Cal.)

Safety Data

• Safety Description: IRRITANT