(2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile
TL;DR: (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile (CAS 1008108-50-6) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(benzenesulfonyl)-3-(dimethylamino)prop-2-enenitrile
Also Known As: (2E)-3-(DIMETHYLAMINO)-2-(PHENYLSULFONYL)ACRYLONITRILE, (E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile, 12G-324S, (E)-2-(benzenesulfonyl)-3-(dimethylamino)prop-2-enenitrile, (2E)-2-(benzenesulfonyl)-3-(dimethylamino)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 403.0 |
| SMILES | CN(C)/C=C(\C#N)/S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | WGGILLZYBNAKKM-PKNBQFBNSA-N |
Chemical Property Profile of (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile
Property Insights of (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, (2E)-3-(Dimethylamino)-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 (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile?
The CAS number of (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile is 1008108-50-6.
What is the molecular formula of (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile?
The molecular formula of (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile is C11H12N2O2S.
What is the molecular weight of (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile?
The molecular weight of (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile is 236.06195 g/mol.
Where can I buy (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile?
You can request a quote for (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(Dimethylamino)-2-(phenylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.