(o-Carboxyphenylthio)acetic acid
TL;DR: (o-Carboxyphenylthio)acetic acid (CAS 135-13-7) 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.
2-(carboxymethylsulfanyl)benzoic acid
Also Known As: 2-(Carboxymethylthio)benzoic acid, 2-[(carboxymethyl)thio]benzoic acid, 2-((Carboxymethyl)thio)benzoic acid, (o-Carboxyphenylthio)acetic acid, 2-(carboxymethylsulfanyl)benzoic acid
| Molecular Formula | C9H8O4S |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.6 |
| 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 | 135-13-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)O |
| InChIKey | GMBZSYUPMWCDGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(o-Carboxyphenylthio)acetic acid (CAS 135-13-7), with molecular formula C9H8O4S and molecular weight 212.01 g/mol. IUPAC: 2-(carboxymethylsulfanyl)benzoic acid.
Chemical Property Profile of (o-Carboxyphenylthio)acetic acid
Property Insights of (o-Carboxyphenylthio)acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (o-Carboxyphenylthio)acetic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (o-Carboxyphenylthio)acetic acid. Following Lipinski's Rule of Five, (o-Carboxyphenylthio)acetic 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 (o-Carboxyphenylthio)acetic acid?
The CAS number of (o-Carboxyphenylthio)acetic acid is 135-13-7.
What is the molecular formula of (o-Carboxyphenylthio)acetic acid?
The molecular formula of (o-Carboxyphenylthio)acetic acid is C9H8O4S.
What is the molecular weight of (o-Carboxyphenylthio)acetic acid?
The molecular weight of (o-Carboxyphenylthio)acetic acid is 212.01 g/mol.
Where can I buy (o-Carboxyphenylthio)acetic acid?
You can request a quote for (o-Carboxyphenylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (o-Carboxyphenylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (o-Carboxyphenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.