Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate (CAS 17309-13-6) is a chemical compound with molecular formula C7H9NO2S2 and molecular weight 203.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-sulfanylidene-3H-1,3-thiazole-5-carboxylate
Also Known As: ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-sulfanylidene-3H-1,3-thiazole-5-carboxylate, Ethyl 2-mercapto-4-methyl-5-thiazolecarboxylate, ethyl 4-methyl-2-sulfanyl-thiazole-5-carboxylate, Ethyl 4-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C7H9NO2S2 |
|---|---|
| Molecular Weight | 203.01 g/mol |
| LogP | 2.29081 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.00748 |
| Heavy Atoms | 12 |
| Complexity | 339.42072 |
Chemical Identifiers
| CAS Number | 17309-13-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)S1)C |
Product Overview
Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate (CAS 17309-13-6), with molecular formula C7H9NO2S2 and molecular weight 203.01 g/mol. IUPAC: ethyl 4-methyl-2-sulfanylidene-3H-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate
The XLogP value of 2.29081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-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 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate is 17309-13-6.
What is the molecular formula of Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate is C7H9NO2S2.
What is the molecular weight of Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate is 203.01 g/mol.
Where can I buy Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 4-methyl-2-sulfanyl-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 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-2-sulfanyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.