AC1MFREI structure

AC1MFREI

2-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone

Also Known As: 2-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone|2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone|2-[[5-(hydroxy-phenyl-methyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone

CAS: 690668-62-3
Molecular Formula C24H21N3O3S
Molecular Weight 431.13037 g/mol
LogP 4.3326
Topological Polar Surface Area 77.24 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 431.13037
Monoisotopic Mass 431.13037
Heavy Atoms 31
Complexity 1145.9302

Chemical Identifiers

CAS Number 690668-62-3
SMILES COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O

Product Overview

AC1MFREI (CAS 690668-62-3), with molecular formula C24H21N3O3S and molecular weight 431.13037 g/mol. IUPAC: 2-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.

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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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