Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate
TL;DR: Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate (CAS 149789-77-5) is a chemical compound with molecular formula C6H7NO3S2 and molecular weight 204.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate
Also Known As: Epalrestat impurity 29, Epalrestat Impurity 19, Epalrestat Impurity 45, Methyl 3-rhodanineacetate, Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate
| Molecular Formula | C6H7NO3S2 |
|---|---|
| Molecular Weight | 204.99 g/mol |
| LogP | 0.0197 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.98674 |
| Heavy Atoms | 12 |
| Complexity | 224.9477 |
Chemical Identifiers
| CAS Number | 149789-77-5 |
|---|---|
| SMILES | COC(=O)CN1C(=O)CSC1=S |
Product Overview
Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate (CAS 149789-77-5), with molecular formula C6H7NO3S2 and molecular weight 204.99 g/mol. IUPAC: methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate.
Chemical Property Profile of Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate
Property Insights of Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate
The XLogP value of 0.0197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate. With a topological polar surface area (TPSA) of 46.61 Ų, Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate 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 Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate?
The CAS number of Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate is 149789-77-5.
What is the molecular formula of Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate?
The molecular formula of Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate is C6H7NO3S2.
What is the molecular weight of Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate?
The molecular weight of Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate is 204.99 g/mol.
Where can I buy Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate?
You can request a quote for Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.