1-(4-Bromophenyl)-2-[(5-Methyl-1H-1,2,4-Triazol-3-Yl)Sulfanyl]Ethanone
[CAS# 37664-35-0]

Identification

• Name: 1-(4-Bromophenyl)-2-[(5-Methyl-1H-1,2,4-Triazol-3-Yl)Sulfanyl]Ethanone
• Synonyms: 1-(4-bromophenyl)-2-(3-methyl(1H-1,2,4-triazol-5-ylthio))ethan-1-one; 1-(4-Bromo-phenyl)-2-(5-methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-ethanone; 1-(4-bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
• Molecular Formula: C₁₁H₁₀BrN₃OS
• Molecular Weight: 312.19
• CAS Registry Number: 37664-35-0
• SMILES: Brc2ccc(C(=O)CSc1nc(nn1)C)cc2
• InChI: 1S/C11H10BrN3OS/c1-7-13-11(15-14-7)17-6-10(16)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,14,15)
• InChIKey: UDDXBSNUZDFMOF-UHFFFAOYSA-N

Properties

• Density: 1.655g/cm³ (Cal.)
• Boiling point: 526.02°C at 760 mmHg (Cal.)
• Flash point: 271.927°C (Cal.)