(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 212.01433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O4S |
| Molecular Weight | 212.01433 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.01433 Da |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)O |
| InChIKey | GMBZSYUPMWCDGK-UHFFFAOYSA-N |
Product Description
Applications: (o-Carboxyphenylthio)acetic acid is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A photographic chemical supplied by CoreyChem, (o-Carboxyphenylthio)acetic acid (CAS 135-13-7) has the molecular formula C9H8O4S and a molecular weight of 212.01 g/mol. Synonyms include 2-(Carboxymethylthio)benzoic acid and 2-[(carboxymethyl)thio]benzoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 212.01433 g/mol.
What are the applications of (o-Carboxyphenylthio)acetic acid?
(o-Carboxyphenylthio)acetic acid is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy (o-Carboxyphenylthio)acetic acid?
You can request a quote for (o-Carboxyphenylthio)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (o-Carboxyphenylthio)acetic acid?
Yes, CoreyChem provides custom synthesis services for (o-Carboxyphenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.