3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid
TL;DR: 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid (CAS 1234-18-0) is a chemical compound with molecular formula C14H10O6S2 and molecular weight 337.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-carboxyphenyl)sulfonylsulfanylbenzoic acid
Also Known As: Aromatic thiosulfone analog, 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid, 3-(3-carboxyphenyl)sulfonylsulfanylbenzoic acid, 3-{[(3-Carboxyphenyl)sulfonyl]thio}benzoic acid, Benzoic acid, m-thiosulfo-, S-m-carboxyphenyl ester
| Molecular Formula | C14H10O6S2 |
|---|---|
| Molecular Weight | 337.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.99188 |
| Heavy Atoms | 22 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 1234-18-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C(=O)O |
| InChIKey | ZLXBDOQCIJHJQV-UHFFFAOYSA-N |
Product Overview
3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid (CAS 1234-18-0), with molecular formula C14H10O6S2 and molecular weight 337.99 g/mol. IUPAC: 3-(3-carboxyphenyl)sulfonylsulfanylbenzoic acid.
Chemical Property Profile of 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid
Property Insights of 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid. The TPSA of 142.0 Ų indicates high polarity, suggesting 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid has 2 hydrogen bond donor(s) and 7 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 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid?
The CAS number of 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid is 1234-18-0.
What is the molecular formula of 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid?
The molecular formula of 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid is C14H10O6S2.
What is the molecular weight of 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid?
The molecular weight of 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid is 337.99 g/mol.
Where can I buy 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid?
You can request a quote for 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(((3-Carboxyphenyl)sulfonyl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.