2-(((2-Nitrophenyl)thio)amino)propanoic acid
2-[(2-nitrophenyl)sulfanylamino]propanoic acid
Also Known As: Alanine,N-[(2-nitrophenyl)thio]|2-(((2-nitrophenyl)thio)amino)propanoic acid|2-[(2-nitrophenyl)sulfanylamino]propanoic Acid|(2S)-2-[(2-nitrophenyl)sulfanylamino]propanoic acid
CAS: 5879-39-0
| Molecular Formula | C9H10N2O4S |
|---|---|
| Molecular Weight | 242.03613 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.03613 |
| Monoisotopic Mass | 242.03613 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 5879-39-0 |
|---|---|
| SMILES | CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | FELSXTCZSJSHHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (16 patents)
Organometallic Reagents (3 patents)
Pharmaceutical Intermediates (10 patents)
Plastic Additives (2 patents)
Polymer Intermediates (2 patents)
Product Overview
2-(((2-Nitrophenyl)thio)amino)propanoic acid (CAS 5879-39-0), with molecular formula C9H10N2O4S and molecular weight 242.03613 g/mol. IUPAC: 2-[(2-nitrophenyl)sulfanylamino]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 →
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