Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-
TL;DR: Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- (CAS 1012-71-1) is a chemical compound with molecular formula C9H6ClNO2S and molecular weight 226.98077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-chlorophenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-3-((4-Chlorophenyl)sulfonyl)acrylonitrile, (E)-3-(4-chlorophenylsulfonyl)acrylonitrile, CP 1402304, 3-(4-chlorobenzenesulfonyl)prop-2-enenitrile, (E)-3-(4-chlorophenyl)sulfonylprop-2-enenitrile
Technical Specifications
| Molecular Formula | C9H6ClNO2S |
| Molecular Weight | 226.98077 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.98077 Da |
| Heavy Atoms | 14 |
| Complexity | 352.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)/C=C/C#N)Cl |
| InChIKey | PMXNFHBBEHWDAK-LREOWRDNSA-N |
Chemical Property Profile of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-
Property Insights of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-. Following Lipinski's Rule of Five, Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- 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
What is the CAS number of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-?
The CAS number of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- is 1012-71-1.
What is the molecular formula of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-?
The molecular formula of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- is C9H6ClNO2S.
What is the molecular weight of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-?
The molecular weight of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- is 226.98077 g/mol.
Where can I buy Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-?
You can request a quote for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-?
Yes, CoreyChem provides custom synthesis services for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.