4-Allyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
[CAS# 669740-12-9]

Identification

• Name: 4-Allyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-Allyl-5-(3,4-dimethyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol; 5-[(3,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(3,4-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₄H₁₇N₃OS
• Molecular Weight: 275.37
• CAS Registry Number: 669740-12-9
• SMILES: CC1=C(C=C(C=C1)OCC2=NN=C(N2CC=C)S)C
• InChI: 1S/C14H17N3OS/c1-4-7-17-13(15-16-14(17)19)9-18-12-6-5-10(2)11(3)8-12/h4-6,8H,1,7,9H2,2-3H3,(H,16,19)
• InChIKey: NLAXDVPFTGDESH-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 466.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 235.9±31.5°C (Cal.)
• Refractive index: 1.602 (Cal.)

Safety Data

• Safety Description: IRRITANT