5-Nitro-2-(phenylthio)benzoic acid
TL;DR: 5-Nitro-2-(phenylthio)benzoic acid (CAS 7252-10-0) 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.
5-nitro-2-phenylsulfanylbenzoic acid
Also Known As: 5-Nitro-2-(phenylthio)benzoic acid, 5-Nitro-2-phenylsulfanyl-benzoic acid, 5-nitro-2-phenylsulfanylbenzoic acid, 5-nitro-2-(phenylsulfanyl)benzoic acid, benzoic acid, 5-nitro-2-(phenylthio)-
| Molecular Formula | C13H9NO4S |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.02524 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 7252-10-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | MBGUREXFPRWNKS-UHFFFAOYSA-N |
Product Overview
5-Nitro-2-(phenylthio)benzoic acid (CAS 7252-10-0), with molecular formula C13H9NO4S and molecular weight 275.03 g/mol. IUPAC: 5-nitro-2-phenylsulfanylbenzoic acid.
Chemical Property Profile of 5-Nitro-2-(phenylthio)benzoic acid
Property Insights of 5-Nitro-2-(phenylthio)benzoic acid
The XLogP value of 3.5 indicates that 5-Nitro-2-(phenylthio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(phenylthio)benzoic acid. Following Lipinski's Rule of Five, 5-Nitro-2-(phenylthio)benzoic acid has 1 hydrogen bond donor(s) and 5 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 5-Nitro-2-(phenylthio)benzoic acid?
The CAS number of 5-Nitro-2-(phenylthio)benzoic acid is 7252-10-0.
What is the molecular formula of 5-Nitro-2-(phenylthio)benzoic acid?
The molecular formula of 5-Nitro-2-(phenylthio)benzoic acid is C13H9NO4S.
What is the molecular weight of 5-Nitro-2-(phenylthio)benzoic acid?
The molecular weight of 5-Nitro-2-(phenylthio)benzoic acid is 275.03 g/mol.
Where can I buy 5-Nitro-2-(phenylthio)benzoic acid?
You can request a quote for 5-Nitro-2-(phenylthio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-(phenylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(phenylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.