4-Mercaptobenzenesulfonic acid
TL;DR: 4-Mercaptobenzenesulfonic acid (CAS 7134-41-0) is a chemical compound with molecular formula C6H6O3S2 and molecular weight 189.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylbenzenesulfonic acid
Also Known As: 4-Mercaptobenzenesulfonic acid, 4-sulfanylbenzenesulfonic acid, 4-Mbsna, Benzenesulfonic acid, 4-mercapto-, 4-Mercaptobenzenesulfonate
| Molecular Formula | C6H6O3S2 |
|---|---|
| Molecular Weight | 189.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.97583 |
| Heavy Atoms | 11 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 7134-41-0 |
|---|---|
| SMILES | C1=CC(=CC=C1S)S(=O)(=O)O |
| InChIKey | ULBNVDPBWRTOPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Mercaptobenzenesulfonic acid (CAS 7134-41-0), with molecular formula C6H6O3S2 and molecular weight 189.98 g/mol. IUPAC: 4-sulfanylbenzenesulfonic acid.
Chemical Property Profile of 4-Mercaptobenzenesulfonic acid
Property Insights of 4-Mercaptobenzenesulfonic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercaptobenzenesulfonic acid. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Mercaptobenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Mercaptobenzenesulfonic acid has 2 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 4-Mercaptobenzenesulfonic acid?
The CAS number of 4-Mercaptobenzenesulfonic acid is 7134-41-0.
What is the molecular formula of 4-Mercaptobenzenesulfonic acid?
The molecular formula of 4-Mercaptobenzenesulfonic acid is C6H6O3S2.
What is the molecular weight of 4-Mercaptobenzenesulfonic acid?
The molecular weight of 4-Mercaptobenzenesulfonic acid is 189.98 g/mol.
Where can I buy 4-Mercaptobenzenesulfonic acid?
You can request a quote for 4-Mercaptobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Mercaptobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercaptobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.