4-Hydroxy-3-sulfanylbenzoic acid
TL;DR: 4-Hydroxy-3-sulfanylbenzoic acid (CAS 59780-96-0) is a chemical compound with molecular formula C7H6O3S and molecular weight 170.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-sulfanylbenzoic acid
Also Known As: 4-hydroxy-3-sulfanylbenzoic acid, 3-Mercapto-4-Hydroxybenzoic acid, 4-hydroxy-3-sulfanyl-benzoic acid, 4-hydroxy-3-mercaptobenzoic acid
| Molecular Formula | C7H6O3S |
|---|---|
| Molecular Weight | 170.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.00377 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 59780-96-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)S)O |
| InChIKey | QZIPTEUHXMBARA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-3-sulfanylbenzoic acid (CAS 59780-96-0), with molecular formula C7H6O3S and molecular weight 170.00 g/mol. IUPAC: 4-hydroxy-3-sulfanylbenzoic acid.
Chemical Property Profile of 4-Hydroxy-3-sulfanylbenzoic acid
Property Insights of 4-Hydroxy-3-sulfanylbenzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-sulfanylbenzoic acid. With a topological polar surface area (TPSA) of 58.5 Ų, 4-Hydroxy-3-sulfanylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-sulfanylbenzoic acid has 3 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-Hydroxy-3-sulfanylbenzoic acid?
The CAS number of 4-Hydroxy-3-sulfanylbenzoic acid is 59780-96-0.
What is the molecular formula of 4-Hydroxy-3-sulfanylbenzoic acid?
The molecular formula of 4-Hydroxy-3-sulfanylbenzoic acid is C7H6O3S.
What is the molecular weight of 4-Hydroxy-3-sulfanylbenzoic acid?
The molecular weight of 4-Hydroxy-3-sulfanylbenzoic acid is 170.00 g/mol.
Where can I buy 4-Hydroxy-3-sulfanylbenzoic acid?
You can request a quote for 4-Hydroxy-3-sulfanylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-sulfanylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-sulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.