AC1NC6X9 structure

AC1NC6X9

2-chloro-5-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid

Also Known As: 2-chloro-5-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid|2-chloro-5-[3-(4-chlorophenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid|2-Chloro-5-[[[[3-(4-chlorophenyl)-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-benzoic acid

CAS: 532944-22-2
Molecular Formula C17H12Cl2N2O3S
Molecular Weight 393.99457 g/mol
LogP 4.218
Topological Polar Surface Area 78.43 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 393.99457
Monoisotopic Mass 393.99457
Heavy Atoms 25
Complexity 851.4715

Chemical Identifiers

CAS Number 532944-22-2
SMILES C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Cl

Product Overview

AC1NC6X9 (CAS 532944-22-2), with molecular formula C17H12Cl2N2O3S and molecular weight 393.99457 g/mol. IUPAC: 2-chloro-5-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid.

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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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