4-(2-Pyridinylthio)benzoic acid
TL;DR: 4-(2-Pyridinylthio)benzoic acid (CAS 852952-22-8) is a chemical compound with molecular formula C12H9NO2S and molecular weight 231.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyridin-2-ylsulfanylbenzoic acid
Also Known As: 4-(pyridin-2-ylsulfanyl)benzoic acid, 4-pyridin-2-ylsulfanylbenzoic Acid, 4-(2-Pyridinylthio)benzoic acid, 4-(pyridin-2-ylthio)benzoic acid, 4-(pyridin-2-ylsulfanyl)benzoicacid
| Molecular Formula | C12H9NO2S |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | 2.931 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.0354 |
| Heavy Atoms | 16 |
| Complexity | 482.13177 |
Chemical Identifiers
| CAS Number | 852952-22-8 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC2=CC=C(C=C2)C(=O)O |
Product Overview
4-(2-Pyridinylthio)benzoic acid (CAS 852952-22-8), with molecular formula C12H9NO2S and molecular weight 231.04 g/mol. IUPAC: 4-pyridin-2-ylsulfanylbenzoic acid.
Chemical Property Profile of 4-(2-Pyridinylthio)benzoic acid
Property Insights of 4-(2-Pyridinylthio)benzoic acid
The XLogP value of 2.931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Pyridinylthio)benzoic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 4-(2-Pyridinylthio)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Pyridinylthio)benzoic acid has 1 hydrogen bond donor(s) and 3 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 4-(2-Pyridinylthio)benzoic acid?
The CAS number of 4-(2-Pyridinylthio)benzoic acid is 852952-22-8.
What is the molecular formula of 4-(2-Pyridinylthio)benzoic acid?
The molecular formula of 4-(2-Pyridinylthio)benzoic acid is C12H9NO2S.
What is the molecular weight of 4-(2-Pyridinylthio)benzoic acid?
The molecular weight of 4-(2-Pyridinylthio)benzoic acid is 231.04 g/mol.
Where can I buy 4-(2-Pyridinylthio)benzoic acid?
You can request a quote for 4-(2-Pyridinylthio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Pyridinylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Pyridinylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.