2-[3-(Hexylthio)-1H-1,2,4-Triazol-1-Yl]-1-(2-Hydroxyphenyl)Ethan-1-One
[CAS# 83783-55-5]

Identification

• Name: 2-[3-(Hexylthio)-1H-1,2,4-Triazol-1-Yl]-1-(2-Hydroxyphenyl)Ethan-1-One
• Synonyms: 2-[3-(Hexylthio)-1,2,4-Triazol-1-Yl]-1-(2-Hydroxyphenyl)Ethanone; 2-(3-(Hexylthio)-1H-1,2,4-Triazol-1-Yl)-1-(2-Hydroxyphenyl)Ethan-1-One
• Molecular Formula: C₁₆H₂₁N₃O₂S
• Molecular Weight: 319.42
• CAS Registry Number: 83783-55-5
• EINECS: 280-789-8
• SMILES: C1=NC(=N[N]1CC(=O)C2=C(O)C=CC=C2)SCCCCCC
• InChI: 1S/C16H21N3O2S/c1-2-3-4-7-10-22-16-17-12-19(18-16)11-15(21)13-8-5-6-9-14(13)20/h5-6,8-9,12,20H,2-4,7,10-11H2,1H3
• InChIKey: SUEDIJGRWGXHAD-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 513.01°C at 760 mmHg (Cal.)
• Flash point: 264.059°C (Cal.)