4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid
TL;DR: 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid (CAS 90812-31-0) is a chemical compound with molecular formula C8H11NO3S3 and molecular weight 264.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Also Known As: 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid, IFLab1_001421, 4-(methylsulfanyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid, L-2718, F0385-0014
| Molecular Formula | C8H11NO3S3 |
|---|---|
| Molecular Weight | 264.99 g/mol |
| LogP | 1.053 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.9901 |
| Heavy Atoms | 15 |
| Complexity | 278.85648 |
Chemical Identifiers
| CAS Number | 90812-31-0 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C(=O)CSC1=S |
Product Overview
4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid (CAS 90812-31-0), with molecular formula C8H11NO3S3 and molecular weight 264.99 g/mol. IUPAC: 4-methylsulfanyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid.
Chemical Property Profile of 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid
Property Insights of 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid
The XLogP value of 1.053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid has 1 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 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid?
The CAS number of 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid is 90812-31-0.
What is the molecular formula of 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid?
The molecular formula of 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid is C8H11NO3S3.
What is the molecular weight of 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid?
The molecular weight of 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid is 264.99 g/mol.
Where can I buy 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid?
You can request a quote for 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.