2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone structure

2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone

Also Known As: 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone|2-((5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone|2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone|2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone|2-[5-(2-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-1-phenylethan-1-one|2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one

CAS: 397290-86-7
Molecular Formula C22H16ClN3OS
Molecular Weight 405.07025 g/mol
LogP 5.5627
Topological Polar Surface Area 47.78 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 405.07025
Monoisotopic Mass 405.07025
Heavy Atoms 28
Complexity 1097.2421

Chemical Identifiers

CAS Number 397290-86-7
SMILES C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Cl

Product Overview

2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 397290-86-7), with molecular formula C22H16ClN3OS and molecular weight 405.07025 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is a custom synthesis product. We offer services from milligram to kilogram scale.

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