AC1MWH0Q structure

AC1MWH0Q

2-[5-(3-chlorophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Also Known As: 2-[5-(3-chlorophenyl)furan-2-yl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|2-[5-(3-chlorophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile|2-(5-(3-chlorophenyl)furan-2-yl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|2-[5-(3-Chloro-phenyl)-furan-2-yl]-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile

CAS: 497075-95-3
Molecular Formula C21H14ClN3O2S
Molecular Weight 407.04953 g/mol
LogP 4.89998
Topological Polar Surface Area 69.27 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 407.04953
Monoisotopic Mass 407.04953
Heavy Atoms 28
Complexity 1117.9343

Chemical Identifiers

CAS Number 497075-95-3
SMILES C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC(=CC=C4)Cl

Product Overview

AC1MWH0Q (CAS 497075-95-3), with molecular formula C21H14ClN3O2S and molecular weight 407.04953 g/mol. IUPAC: 2-[5-(3-chlorophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.

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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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