Ethoxycarbonyl-thioacetophenone
TL;DR: Ethoxycarbonyl-thioacetophenone (CAS 18457-89-1) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenyl-3-sulfanylidenepropanoate
Also Known As: ethyl thiobenzoylacetate, ethoxycarbonyl-thioacetophenone, 2-Thiobenzoylacetic acid ethyl ester, ethyl 3-phenyl-3-sulfanylidenepropanoate, J1.855.082B
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.3578 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 319.31924 |
Chemical Identifiers
| CAS Number | 18457-89-1 |
|---|---|
| SMILES | CCOC(=O)CC(=S)C1=CC=CC=C1 |
Product Overview
Ethoxycarbonyl-thioacetophenone (CAS 18457-89-1), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: ethyl 3-phenyl-3-sulfanylidenepropanoate.
Chemical Property Profile of Ethoxycarbonyl-thioacetophenone
Property Insights of Ethoxycarbonyl-thioacetophenone
The XLogP value of 2.3578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethoxycarbonyl-thioacetophenone. With a topological polar surface area (TPSA) of 26.3 Ų, Ethoxycarbonyl-thioacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethoxycarbonyl-thioacetophenone has 0 hydrogen bond donor(s) and 3 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 Ethoxycarbonyl-thioacetophenone?
The CAS number of Ethoxycarbonyl-thioacetophenone is 18457-89-1.
What is the molecular formula of Ethoxycarbonyl-thioacetophenone?
The molecular formula of Ethoxycarbonyl-thioacetophenone is C11H12O2S.
What is the molecular weight of Ethoxycarbonyl-thioacetophenone?
The molecular weight of Ethoxycarbonyl-thioacetophenone is 208.06 g/mol.
Where can I buy Ethoxycarbonyl-thioacetophenone?
You can request a quote for Ethoxycarbonyl-thioacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxycarbonyl-thioacetophenone?
Yes, KEHONG BIO provides custom synthesis services for Ethoxycarbonyl-thioacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.