5-Methoxy-2-sulfanylbenzoic acid
TL;DR: 5-Methoxy-2-sulfanylbenzoic acid (CAS 16807-37-7) is a chemical compound with molecular formula C8H8O3S and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-sulfanylbenzoic acid
Also Known As: 5-Methoxy-2-sulfanylbenzoic acid, 2-MERCAPTO-5-METHOXYBENZOIC ACID, 6-Mercapto-m-anisic Acid, 5-Methoxythiosalicylic acid, m-Anisic acid, 6-mercapto-
| Molecular Formula | C8H8O3S |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 47.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.01941 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 16807-37-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)S)C(=O)O |
| InChIKey | XGRXETKKISMBSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-2-sulfanylbenzoic acid (CAS 16807-37-7), with molecular formula C8H8O3S and molecular weight 184.02 g/mol. IUPAC: 5-methoxy-2-sulfanylbenzoic acid.
Chemical Property Profile of 5-Methoxy-2-sulfanylbenzoic acid
Property Insights of 5-Methoxy-2-sulfanylbenzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-2-sulfanylbenzoic acid. With a topological polar surface area (TPSA) of 47.5 Ų, 5-Methoxy-2-sulfanylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-2-sulfanylbenzoic 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 5-Methoxy-2-sulfanylbenzoic acid?
The CAS number of 5-Methoxy-2-sulfanylbenzoic acid is 16807-37-7.
What is the molecular formula of 5-Methoxy-2-sulfanylbenzoic acid?
The molecular formula of 5-Methoxy-2-sulfanylbenzoic acid is C8H8O3S.
What is the molecular weight of 5-Methoxy-2-sulfanylbenzoic acid?
The molecular weight of 5-Methoxy-2-sulfanylbenzoic acid is 184.02 g/mol.
Where can I buy 5-Methoxy-2-sulfanylbenzoic acid?
You can request a quote for 5-Methoxy-2-sulfanylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-2-sulfanylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-sulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.