AC1NPDGW
5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid|5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid|5-Chloro-2-[[[[3-[4-(1-methylethyl)phenyl ]-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-benzoic acid
CAS: 535948-63-1
| Molecular Formula | C20H19ClN2O3S |
|---|---|
| Molecular Weight | 402.0805 g/mol |
| LogP | 4.688 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0805 |
| Monoisotopic Mass | 402.0805 |
| Heavy Atoms | 27 |
| Complexity | 892.59985 |
Chemical Identifiers
| CAS Number | 535948-63-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O |
Product Overview
AC1NPDGW (CAS 535948-63-1), with molecular formula C20H19ClN2O3S and molecular weight 402.0805 g/mol. IUPAC: 5-chloro-2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid.
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.
View MSDS →
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