2-(((2-Nitrophenyl)thio)amino)propanoic acid
TL;DR: 2-(((2-Nitrophenyl)thio)amino)propanoic acid (CAS 5879-39-0) is a chemical compound with molecular formula C9H10N2O4S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H10N2O4S |
|---|---|
| Molecular Weight | 242.04 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 |
| 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.
Product Overview
2-(((2-Nitrophenyl)thio)amino)propanoic acid (CAS 5879-39-0), with molecular formula C9H10N2O4S and molecular weight 242.04 g/mol. IUPAC: 2-[(2-nitrophenyl)sulfanylamino]propanoic acid.
Chemical Property Profile of 2-(((2-Nitrophenyl)thio)amino)propanoic acid
Property Insights of 2-(((2-Nitrophenyl)thio)amino)propanoic acid
The XLogP value of -0.7 indicates that 2-(((2-Nitrophenyl)thio)amino)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((2-Nitrophenyl)thio)amino)propanoic acid. Following Lipinski's Rule of Five, 2-(((2-Nitrophenyl)thio)amino)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((2-Nitrophenyl)thio)amino)propanoic acid?
The CAS number of 2-(((2-Nitrophenyl)thio)amino)propanoic acid is 5879-39-0.
What is the molecular formula of 2-(((2-Nitrophenyl)thio)amino)propanoic acid?
The molecular formula of 2-(((2-Nitrophenyl)thio)amino)propanoic acid is C9H10N2O4S.
What is the molecular weight of 2-(((2-Nitrophenyl)thio)amino)propanoic acid?
The molecular weight of 2-(((2-Nitrophenyl)thio)amino)propanoic acid is 242.04 g/mol.
Where can I buy 2-(((2-Nitrophenyl)thio)amino)propanoic acid?
You can request a quote for 2-(((2-Nitrophenyl)thio)amino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((2-Nitrophenyl)thio)amino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2-Nitrophenyl)thio)amino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.