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 226.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-3-((4-Chlorophenyl)sulfonyl)acrylonitrile, (E)-3-(4-chlorophenylsulfonyl)acrylonitrile, 3-(4-chlorobenzenesulfonyl)prop-2-enenitrile, (E)-3-(4-chlorophenyl)sulfonylprop-2-enenitrile, 3-((4-Chlorophenyl)sulfonyl)-2-propenenitrile
| Molecular Formula | C9H6ClNO2S |
|---|---|
| Molecular Weight | 226.98 g/mol |
| LogP | 2.15098 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.98077 |
| Heavy Atoms | 14 |
| Complexity | 482.5384 |
Chemical Identifiers
| CAS Number | 1012-71-1 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)/C=C/C#N)Cl |
Product Overview
Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- (CAS 1012-71-1), with molecular formula C9H6ClNO2S and molecular weight 226.98 g/mol. IUPAC: (E)-3-(4-chlorophenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-
Property Insights of Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-
The XLogP value of 2.15098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-. With a topological polar surface area (TPSA) of 57.93 Ų, Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 226.98 g/mol.
Where can I buy Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-?
You can request a quote for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acrylonitrile, 3-((p-chlorophenyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.