Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate
TL;DR: Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate (CAS 116170-84-4) is a chemical compound with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-methylsulfanylthiophene-2-carboxylate
Also Known As: ETHYL 4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE, ethyl 4-cyano-5-(methylsulfanyl)thiophene-2-carboxylate, ethyl 4-cyano-5-methylsulfanylthiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, ethyl ester, 4-Cyano-5-methylsulfanylthiophene-2-carboxylic acid ethyl ester
| Molecular Formula | C9H9NO2S2 |
|---|---|
| Molecular Weight | 227.01 g/mol |
| LogP | 2.51838 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.00748 |
| Heavy Atoms | 14 |
| Complexity | 378.65393 |
Chemical Identifiers
| CAS Number | 116170-84-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(S1)SC)C#N |
Product Overview
Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate (CAS 116170-84-4), with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol. IUPAC: ethyl 4-cyano-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate
Property Insights of Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate
The XLogP value of 2.51838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate 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 Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate?
The CAS number of Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate is 116170-84-4.
What is the molecular formula of Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate?
The molecular formula of Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate is C9H9NO2S2.
What is the molecular weight of Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate?
The molecular weight of Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate is 227.01 g/mol.
Where can I buy Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate?
You can request a quote for Ethyl 4-cyano-5-(methylthio)thiophene-2-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-cyano-5-(methylthio)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.