4-Ethyl-5-[(4-Ethylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 491647-36-0]

Identification

• Name: 4-Ethyl-5-[(4-Ethylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Ethyl-5-(4-ethyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol; 4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole-3-thiol; 4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-ylhydrosulfide
• Molecular Formula: C₁₃H₁₇N₃OS
• Molecular Weight: 263.36
• CAS Registry Number: 491647-36-0
• SMILES: CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)S
• InChI: 1S/C13H17N3OS/c1-3-10-5-7-11(8-6-10)17-9-12-14-15-13(18)16(12)4-2/h5-8H,3-4,9H2,1-2H3,(H,15,18)
• InChIKey: ITBHNGPSDUFBRH-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 445.5±47.0°C at 760 mmHg (Cal.)
• Flash point: 223.2±29.3°C (Cal.)
• Refractive index: 1.61 (Cal.)

Safety Data

• Safety Description: IRRITANT