![Butanedioic acid, 2-[(carboxymethyl)thio]- structure](/static/products/9968/99-68-3.webp)
Butanedioic acid, 2-[(carboxymethyl)thio]-
TL;DR: Butanedioic acid, 2-[(carboxymethyl)thio]- (CAS 99-68-3) is a chemical compound with molecular formula C6H8O6S and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethylsulfanyl)butanedioic acid
Also Known As: Carboxymethylmercaptosuccinic acid, 2-((Carboxymethyl)thio)succinic acid, 2-[(carboxymethyl)sulfanyl]butanedioic acid, 2-(carboxymethylsulfanyl)butanedioic acid, (Carboxymethylthio)succinic acid
| Molecular Formula | C6H8O6S |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.00417 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 99-68-3 |
|---|---|
| SMILES | C(C(C(=O)O)SCC(=O)O)C(=O)O |
| InChIKey | JPHVSDWIWBDHOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 2-[(carboxymethyl)thio]- (CAS 99-68-3), with molecular formula C6H8O6S and molecular weight 208.00 g/mol. IUPAC: 2-(carboxymethylsulfanyl)butanedioic acid.
Chemical Property Profile of Butanedioic acid, 2-[(carboxymethyl)thio]-
Property Insights of Butanedioic acid, 2-[(carboxymethyl)thio]-
The XLogP value of -0.4 indicates that Butanedioic acid, 2-[(carboxymethyl)thio]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2-[(carboxymethyl)thio]-. Following Lipinski's Rule of Five, Butanedioic acid, 2-[(carboxymethyl)thio]- has 3 hydrogen bond donor(s) and 7 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 Butanedioic acid, 2-[(carboxymethyl)thio]-?
The CAS number of Butanedioic acid, 2-[(carboxymethyl)thio]- is 99-68-3.
What is the molecular formula of Butanedioic acid, 2-[(carboxymethyl)thio]-?
The molecular formula of Butanedioic acid, 2-[(carboxymethyl)thio]- is C6H8O6S.
What is the molecular weight of Butanedioic acid, 2-[(carboxymethyl)thio]-?
The molecular weight of Butanedioic acid, 2-[(carboxymethyl)thio]- is 208.00 g/mol.
Where can I buy Butanedioic acid, 2-[(carboxymethyl)thio]-?
You can request a quote for Butanedioic acid, 2-[(carboxymethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-[(carboxymethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-[(carboxymethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.