Benzoic acid, 3-mercapto-
TL;DR: Benzoic acid, 3-mercapto- (CAS 4869-59-4) is a chemical compound with molecular formula C7H6O2S and molecular weight 154.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylbenzoic acid
Also Known As: 3-Mercaptobenzoic acid, 3-sulfanylbenzoic acid, 3-MercaptobenzoicAcid, Benzoic acid, 3-mercapto-, 3-carboxythiophenol
| Molecular Formula | C7H6O2S |
|---|---|
| Molecular Weight | 154.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.00885 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 4869-59-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S)C(=O)O |
| InChIKey | RSFDFESMVAIVKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-mercapto- (CAS 4869-59-4), with molecular formula C7H6O2S and molecular weight 154.01 g/mol. IUPAC: 3-sulfanylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-mercapto-
Property Insights of Benzoic acid, 3-mercapto-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-mercapto-. With a topological polar surface area (TPSA) of 38.3 Ų, Benzoic acid, 3-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-mercapto- has 2 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 Benzoic acid, 3-mercapto-?
The CAS number of Benzoic acid, 3-mercapto- is 4869-59-4.
What is the molecular formula of Benzoic acid, 3-mercapto-?
The molecular formula of Benzoic acid, 3-mercapto- is C7H6O2S.
What is the molecular weight of Benzoic acid, 3-mercapto-?
The molecular weight of Benzoic acid, 3-mercapto- is 154.01 g/mol.
Where can I buy Benzoic acid, 3-mercapto-?
You can request a quote for Benzoic acid, 3-mercapto- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-mercapto-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.