Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate
TL;DR: Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate (CAS 56232-75-8) is a chemical compound with molecular formula C6H7NO2S2 and molecular weight 188.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
Also Known As: ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate, 4-carboethoxy-2-mercaptothiazole, 4-carboethoxy-2-mercapto thiazole, 4-ethoxycarbonyl-2-mercaptothiazole, ethyl 2-mercaptothiazole-4-carboxylate
| Molecular Formula | C6H7NO2S2 |
|---|---|
| Molecular Weight | 188.99 g/mol |
| LogP | 1.98239 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.99182 |
| Heavy Atoms | 11 |
| Complexity | 301.53098 |
Chemical Identifiers
| CAS Number | 56232-75-8 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=S)N1 |
Product Overview
Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate (CAS 56232-75-8), with molecular formula C6H7NO2S2 and molecular weight 188.99 g/mol. IUPAC: ethyl 2-sulfanylidene-3H-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate
Property Insights of Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate
The XLogP value of 1.98239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate?
The CAS number of Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate is 56232-75-8.
What is the molecular formula of Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate?
The molecular formula of Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate is C6H7NO2S2.
What is the molecular weight of Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate?
The molecular weight of Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate is 188.99 g/mol.
Where can I buy Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate?
You can request a quote for Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-thioxo-2,3-dihydrothiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.