2-(Methylthio)succinic acid
TL;DR: 2-(Methylthio)succinic acid (CAS 3972-42-7) is a chemical compound with molecular formula C5H8O4S and molecular weight 164.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylbutanedioic acid
Also Known As: 2-(methylthio)succinic acid, 2-methylsulfanylbutanedioic acid, D-methylsulfanyl-succinic acid, 2-(METHYLSULFANYL)BUTANEDIOIC ACID, BUTANEDIOIC ACID,2-(METHYLTHIO)-
| Molecular Formula | C5H8O4S |
|---|---|
| Molecular Weight | 164.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.01433 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 3972-42-7 |
|---|---|
| SMILES | CSC(CC(=O)O)C(=O)O |
| InChIKey | RZBUKFQTUZLROF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylthio)succinic acid (CAS 3972-42-7), with molecular formula C5H8O4S and molecular weight 164.01 g/mol. IUPAC: 2-methylsulfanylbutanedioic acid.
Chemical Property Profile of 2-(Methylthio)succinic acid
Property Insights of 2-(Methylthio)succinic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)succinic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)succinic acid. Following Lipinski's Rule of Five, 2-(Methylthio)succinic 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 2-(Methylthio)succinic acid?
The CAS number of 2-(Methylthio)succinic acid is 3972-42-7.
What is the molecular formula of 2-(Methylthio)succinic acid?
The molecular formula of 2-(Methylthio)succinic acid is C5H8O4S.
What is the molecular weight of 2-(Methylthio)succinic acid?
The molecular weight of 2-(Methylthio)succinic acid is 164.01 g/mol.
Where can I buy 2-(Methylthio)succinic acid?
You can request a quote for 2-(Methylthio)succinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)succinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)succinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.