2-(4-Nitrophenylthio)benzoic acid
TL;DR: 2-(4-Nitrophenylthio)benzoic acid (CAS 20904-30-7) is a chemical compound with molecular formula C13H9NO4S and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)sulfanylbenzoic acid
Also Known As: 2-(4-Nitrophenylthio)benzoic acid, 2-(4-nitrophenyl)sulfanylbenzoic Acid, 2-((4-nitrophenyl)thio)benzoic acid, 2-[(4-nitrophenyl)thio]benzoic acid, 2-[(4-nitrophenyl)sulfanyl]benzoic acid
| Molecular Formula | C13H9NO4S |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 3.4442 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.02524 |
| Heavy Atoms | 19 |
| Complexity | 624.7953 |
Chemical Identifiers
| CAS Number | 20904-30-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenylthio)benzoic acid (CAS 20904-30-7), with molecular formula C13H9NO4S and molecular weight 275.03 g/mol. IUPAC: 2-(4-nitrophenyl)sulfanylbenzoic acid.
Chemical Property Profile of 2-(4-Nitrophenylthio)benzoic acid
Property Insights of 2-(4-Nitrophenylthio)benzoic acid
The XLogP value of 3.4442 indicates that 2-(4-Nitrophenylthio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenylthio)benzoic acid. Following Lipinski's Rule of Five, 2-(4-Nitrophenylthio)benzoic acid has 1 hydrogen bond donor(s) and 4 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-(4-Nitrophenylthio)benzoic acid?
The CAS number of 2-(4-Nitrophenylthio)benzoic acid is 20904-30-7.
What is the molecular formula of 2-(4-Nitrophenylthio)benzoic acid?
The molecular formula of 2-(4-Nitrophenylthio)benzoic acid is C13H9NO4S.
What is the molecular weight of 2-(4-Nitrophenylthio)benzoic acid?
The molecular weight of 2-(4-Nitrophenylthio)benzoic acid is 275.03 g/mol.
Where can I buy 2-(4-Nitrophenylthio)benzoic acid?
You can request a quote for 2-(4-Nitrophenylthio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.