3-Ethoxy-2-(phenylsulfonyl)acrylonitrile
TL;DR: 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile (CAS 1681057-36-2) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(benzenesulfonyl)-3-ethoxyprop-2-enenitrile
Also Known As: 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile, 3-ETHOXY-2- ACRYLONITRILE, 2-(Phenylsulfonyl)-3-ethoxyacrylonitrile, 2-benzenesulfonyl-3-ethoxy-acrylonitrile, (E)-2-(benzenesulfonyl)-3-ethoxyprop-2-enenitrile
Technical Specifications
| Molecular Formula | C11H11NO3S |
| Molecular Weight | 237.04596 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.04596 Da |
| Heavy Atoms | 16 |
| Complexity | 391.0 |
| SMILES | CCO/C=C(\C#N)/S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | PUKBSEPGZUQYAT-PKNBQFBNSA-N |
Chemical Property Profile of 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile
Property Insights of 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile 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 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile?
The CAS number of 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile is 1681057-36-2.
What is the molecular formula of 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile?
The molecular formula of 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile is C11H11NO3S.
What is the molecular weight of 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile?
The molecular weight of 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile is 237.04596 g/mol.
Where can I buy 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile?
You can request a quote for 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Ethoxy-2-(phenylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.