4-Allyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
[CAS# 669740-18-5]

Identification

• Name: 4-Allyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-Allyl-5-(4-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol; 4-allyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide; 5-[(4-methoxyphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₃H₁₅N₃O₂S
• Molecular Weight: 277.34
• CAS Registry Number: 669740-18-5
• SMILES: COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)S
• InChI: 1S/C13H15N3O2S/c1-3-8-16-12(14-15-13(16)19)9-18-11-6-4-10(17-2)5-7-11/h3-7H,1,8-9H2,2H3,(H,15,19)
• InChIKey: QRETVRFAPFWBRB-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 470.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 238.3±31.5°C (Cal.)
• Refractive index: 1.602 (Cal.)

Safety Data

• Safety Description: IRRITANT