3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester
TL;DR: 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester (CAS 67952-25-4) is a chemical compound with molecular formula C5H5NO3S2 and molecular weight 190.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carboxylate
Also Known As: N-Methoxycarbonylrhodanine, 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester, Methyl 4-oxo-2-thioxothiazolidine-3-carboxylate, methyl 4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carboxylate, Methyl 4-oxo-2-thioxo-3-thiazolidinecarboxylate
| Molecular Formula | C5H5NO3S2 |
|---|---|
| Molecular Weight | 190.97 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.97108 |
| Heavy Atoms | 11 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 67952-25-4 |
|---|---|
| SMILES | COC(=O)N1C(=O)CSC1=S |
| InChIKey | QMVFFYYZJNQAHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester (CAS 67952-25-4), with molecular formula C5H5NO3S2 and molecular weight 190.97 g/mol. IUPAC: methyl 4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carboxylate.
Chemical Property Profile of 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester
Property Insights of 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester. Following Lipinski's Rule of Five, 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester has 0 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 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester?
The CAS number of 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester is 67952-25-4.
What is the molecular formula of 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester?
The molecular formula of 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester is C5H5NO3S2.
What is the molecular weight of 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester?
The molecular weight of 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester is 190.97 g/mol.
Where can I buy 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester?
You can request a quote for 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.