3-(N-Phenylthiocarbamoyl)-propanoic acid
3-(phenylcarbamoylsulfanyl)propanoic acid
Also Known As: 3-((Anilinocarbonyl)thio)propanoic acid|3-(phenylcarbamoylsulfanyl)propanoic acid|3-(N-Phenylthiocarbamoyl)-propanoic acid|NCI60_009489|3-[(phenylcarbamoyl)sulfanyl]propanoic acid|Propanoic acid, 3-[[(phenylamino)carbonyl]thio]-
CAS: 54819-78-2
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.04596 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.04596 |
| Monoisotopic Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 54819-78-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)SCCC(=O)O |
| InChIKey | DCFLRUZDCOFBQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (4 patents)
Pharmaceutical Intermediates (3 patents)
Product Overview
3-(N-Phenylthiocarbamoyl)-propanoic acid (CAS 54819-78-2), with molecular formula C10H11NO3S and molecular weight 225.04596 g/mol. IUPAC: 3-(phenylcarbamoylsulfanyl)propanoic 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 →
3-(N-Phenylthiocarbamoyl)-propanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »