Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate
TL;DR: Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate (CAS 650615-91-1) is a chemical compound with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate
Also Known As: ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate, ethyl 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate, ethyl 4-ethenyl-3-methyl-5-(methylsulfanyl)thiophene-2-carboxylate, ETHYL3-METHYL-5- -4-VINYLTHIOPHENE-2-CARBOXYLATE
| Molecular Formula | C11H14O2S2 |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 3.59812 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.04352 |
| Heavy Atoms | 15 |
| Complexity | 380.18478 |
Chemical Identifiers
| CAS Number | 650615-91-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)SC)C=C)C |
Product Overview
Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate (CAS 650615-91-1), with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol. IUPAC: ethyl 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate
Property Insights of Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate
The XLogP value of 3.59812 indicates that Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-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-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate?
The CAS number of Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate is 650615-91-1.
What is the molecular formula of Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate?
The molecular formula of Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate is C11H14O2S2.
What is the molecular weight of Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate?
The molecular weight of Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate is 242.04 g/mol.
Where can I buy Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate?
You can request a quote for Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-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 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-5-(methylthio)-4-vinylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.