Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 252010-04-1) is a chemical compound with molecular formula C8H11NO2S2 and molecular weight 217.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, BAS 00297234, Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate, ethyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, J1.723.624E
| Molecular Formula | C8H11NO2S2 |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.02312 |
| Heavy Atoms | 13 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 252010-04-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C)C |
| InChIKey | CWOLSMXDNJBTGT-UHFFFAOYSA-N |
Product Overview
Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 252010-04-1), with molecular formula C8H11NO2S2 and molecular weight 217.02 g/mol. IUPAC: ethyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate has 0 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 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 252010-04-1.
What is the molecular formula of Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is C8H11NO2S2.
What is the molecular weight of Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 217.02 g/mol.
Where can I buy Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.