Ethyl 1,2-thiazole-4-carboxylate
TL;DR: Ethyl 1,2-thiazole-4-carboxylate (CAS 165275-43-4) is a chemical compound with molecular formula C6H7NO2S and molecular weight 157.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1,2-thiazole-4-carboxylate
Also Known As: Ethyl 1,2-thiazole-4-carboxylate, Ethyl isothiazole-4-carboxylate, 4-Isothiazolecarboxylic acid, ethyl ester, Isothiazole-4-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.01974 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.01974 Da |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
| SMILES | CCOC(=O)C1=CSN=C1 |
| InChIKey | VHXMJBAGIWBTQO-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1,2-thiazole-4-carboxylate
Property Insights of Ethyl 1,2-thiazole-4-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2-thiazole-4-carboxylate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,2-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,2-thiazole-4-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
What is the CAS number of Ethyl 1,2-thiazole-4-carboxylate?
The CAS number of Ethyl 1,2-thiazole-4-carboxylate is 165275-43-4.
What is the molecular formula of Ethyl 1,2-thiazole-4-carboxylate?
The molecular formula of Ethyl 1,2-thiazole-4-carboxylate is C6H7NO2S.
What is the molecular weight of Ethyl 1,2-thiazole-4-carboxylate?
The molecular weight of Ethyl 1,2-thiazole-4-carboxylate is 157.01974 g/mol.
Where can I buy Ethyl 1,2-thiazole-4-carboxylate?
You can request a quote for Ethyl 1,2-thiazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1,2-thiazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1,2-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.