2-[3-(Heptylthio)-1H-1,2,4-Triazol-1-Yl]-1-(2-Hydroxyphenyl)Ethan-1-One
[CAS# 83803-39-8]

Identification

• Name: 2-[3-(Heptylthio)-1H-1,2,4-Triazol-1-Yl]-1-(2-Hydroxyphenyl)Ethan-1-One
• Synonyms: 2-[3-(Heptylthio)-1,2,4-Triazol-1-Yl]-1-(2-Hydroxyphenyl)Ethanone; 2-(3-(Heptylthio)-1H-1,2,4-Triazol-1-Yl)-1-(2-Hydroxyphenyl)Ethan-1-One
• Molecular Formula: C₁₇H₂₃N₃O₂S
• Molecular Weight: 333.45
• CAS Registry Number: 83803-39-8
• EINECS: 280-856-1
• SMILES: C1=NC(=N[N]1CC(=O)C2=C(O)C=CC=C2)SCCCCCCC
• InChI: 1S/C17H23N3O2S/c1-2-3-4-5-8-11-23-17-18-13-20(19-17)12-16(22)14-9-6-7-10-15(14)21/h6-7,9-10,13,21H,2-5,8,11-12H2,1H3
• InChIKey: LVAIVRSLROYZNU-UHFFFAOYSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 522.147°C at 760 mmHg (Cal.)
• Flash point: 269.585°C (Cal.)