![3-[(Carboxymethyl)thio]benzoic acid structure](/static/products/186/18619-33-5.png)
3-[(Carboxymethyl)thio]benzoic acid
TL;DR: 3-[(Carboxymethyl)thio]benzoic acid (CAS 18619-33-5) is a chemical compound with molecular formula C9H8O4S and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(carboxymethylsulfanyl)benzoic acid
Also Known As: 3-[(carboxymethyl)thio]benzoic acid, 3-Carboxymethylsulfanyl-benzoic acid, 3-(carboxymethylthio)benzoic acid, 3-(carboxymethylsulfanyl)benzoic acid, acetic acid, 2-(3-carboxyphenyl)thio-
| Molecular Formula | C9H8O4S |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.01433 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 18619-33-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SCC(=O)O)C(=O)O |
| InChIKey | VJVWEEPBMVCKCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(Carboxymethyl)thio]benzoic acid (CAS 18619-33-5), with molecular formula C9H8O4S and molecular weight 212.01 g/mol. IUPAC: 3-(carboxymethylsulfanyl)benzoic acid.
Chemical Property Profile of 3-[(Carboxymethyl)thio]benzoic acid
Property Insights of 3-[(Carboxymethyl)thio]benzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Carboxymethyl)thio]benzoic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Carboxymethyl)thio]benzoic acid. Following Lipinski's Rule of Five, 3-[(Carboxymethyl)thio]benzoic acid has 2 hydrogen bond donor(s) and 5 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-[(Carboxymethyl)thio]benzoic acid?
The CAS number of 3-[(Carboxymethyl)thio]benzoic acid is 18619-33-5.
What is the molecular formula of 3-[(Carboxymethyl)thio]benzoic acid?
The molecular formula of 3-[(Carboxymethyl)thio]benzoic acid is C9H8O4S.
What is the molecular weight of 3-[(Carboxymethyl)thio]benzoic acid?
The molecular weight of 3-[(Carboxymethyl)thio]benzoic acid is 212.01 g/mol.
Where can I buy 3-[(Carboxymethyl)thio]benzoic acid?
You can request a quote for 3-[(Carboxymethyl)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-[(Carboxymethyl)thio]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Carboxymethyl)thio]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.