4-Ethyl-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667414-47-3]

Identification

• Name: 4-Ethyl-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-Ethyl-5-(4-isopropyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol; 4-ethyl-5-{[4-(methylethyl)phenoxy]methyl}-1,2,4-triazole-3-thiol; 4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₄H₁₉N₃OS
• Molecular Weight: 277.39
• CAS Registry Number: 667414-47-3
• SMILES: CCN1C(=NN=C1S)COC2=CC=C(C=C2)C(C)C
• InChI: 1S/C14H19N3OS/c1-4-17-13(15-16-14(17)19)9-18-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,19)
• InChIKey: YXDDNIGKDWZYAY-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: 1.602 (Cal.)

Safety Data

• Safety Description: IRRITANT