Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate
TL;DR: Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate (CAS 103318-66-7) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(2-methylsulfanylphenyl)-3-oxopropanoate
Also Known As: Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate, ethyl 3-(2-methylsulfanylphenyl)-3-oxopropanoate, ethyl 3-[2-(methylsulfanyl)phenyl]-3-oxopropanoate
Technical Specifications
| Molecular Formula | C12H14O3S |
| Molecular Weight | 238.06636 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.06636 Da |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1SC |
| InChIKey | ZPNPVRNEKGHIFQ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate
Property Insights of Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate 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 3-(2-(methylthio)phenyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate is 103318-66-7.
What is the molecular formula of Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate is C12H14O3S.
What is the molecular weight of Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate is 238.06636 g/mol.
Where can I buy Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.