5-[(4-Ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
[CAS# 667435-97-4]

Identification

• Name: 5-[(4-Ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
• Synonyms: 3-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazoline-5-thione; 5-(4-Ethyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol; 5-[(4-ethylphenoxy)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₂H₁₅N₃OS
• Molecular Weight: 249.33
• CAS Registry Number: 667435-97-4
• SMILES: CCC1=CC=C(C=C1)OCC2=NN=C(N2C)S
• InChI: 1S/C12H15N3OS/c1-3-9-4-6-10(7-5-9)16-8-11-13-14-12(17)15(11)2/h4-7H,3,8H2,1-2H3,(H,14,17)
• InChIKey: YHIVGGHVQQBYNR-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 436.0±47.0°C at 760 mmHg (Cal.)
• Flash point: 217.5±29.3°C (Cal.)
• Refractive index: 1.62 (Cal.)

Safety Data

• Safety Description: IRRITANT