Ethyl 3-(phenylthio)acrylate
TL;DR: Ethyl 3-(phenylthio)acrylate (CAS 64050-18-6) 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-phenylsulfanylprop-2-enoate
Also Known As: ethyl 3-(phenylthio)acrylate, ethyl 3-phenylsulfanylprop-2-enoate, 3-(Phenylthio)acrylic acid ethyl ester, ethyl (2E)-3-(phenylsulfanyl)-2-propenoate, 2-Propenoic acid,3-(phenylthio)-, ethyl ester
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 64050-18-6 |
|---|---|
| SMILES | CCOC(=O)C=CSC1=CC=CC=C1 |
| InChIKey | PNBDVKSFHMUOKR-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(phenylthio)acrylate (CAS 64050-18-6), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: ethyl 3-phenylsulfanylprop-2-enoate.
Chemical Property Profile of Ethyl 3-(phenylthio)acrylate
Property Insights of Ethyl 3-(phenylthio)acrylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(phenylthio)acrylate. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl 3-(phenylthio)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(phenylthio)acrylate 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 Ethyl 3-(phenylthio)acrylate?
The CAS number of Ethyl 3-(phenylthio)acrylate is 64050-18-6.
What is the molecular formula of Ethyl 3-(phenylthio)acrylate?
The molecular formula of Ethyl 3-(phenylthio)acrylate is C11H12O2S.
What is the molecular weight of Ethyl 3-(phenylthio)acrylate?
The molecular weight of Ethyl 3-(phenylthio)acrylate is 208.06 g/mol.
Where can I buy Ethyl 3-(phenylthio)acrylate?
You can request a quote for Ethyl 3-(phenylthio)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(phenylthio)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(phenylthio)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.