4-(2-Methylsulfonylethenyl)benzonitrile
TL;DR: 4-(2-Methylsulfonylethenyl)benzonitrile (CAS 69957-44-4) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylsulfonylethenyl)benzonitrile
Also Known As: 4-(2-methylsulfonylethenyl)benzonitrile, Benzonitrile, 4-(2-(methylsulfonyl)ethenyl)-, Benzonitrile, 4-[2-(methylsulfonyl)ethenyl]-
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 69957-44-4 |
|---|---|
| SMILES | CS(=O)(=O)C=CC1=CC=C(C=C1)C#N |
| InChIKey | OCMYULRMYODANI-UHFFFAOYSA-N |
Product Overview
4-(2-Methylsulfonylethenyl)benzonitrile (CAS 69957-44-4), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 4-(2-methylsulfonylethenyl)benzonitrile.
Chemical Property Profile of 4-(2-Methylsulfonylethenyl)benzonitrile
Property Insights of 4-(2-Methylsulfonylethenyl)benzonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methylsulfonylethenyl)benzonitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methylsulfonylethenyl)benzonitrile. Following Lipinski's Rule of Five, 4-(2-Methylsulfonylethenyl)benzonitrile 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 4-(2-Methylsulfonylethenyl)benzonitrile?
The CAS number of 4-(2-Methylsulfonylethenyl)benzonitrile is 69957-44-4.
What is the molecular formula of 4-(2-Methylsulfonylethenyl)benzonitrile?
The molecular formula of 4-(2-Methylsulfonylethenyl)benzonitrile is C10H9NO2S.
What is the molecular weight of 4-(2-Methylsulfonylethenyl)benzonitrile?
The molecular weight of 4-(2-Methylsulfonylethenyl)benzonitrile is 207.04 g/mol.
Where can I buy 4-(2-Methylsulfonylethenyl)benzonitrile?
You can request a quote for 4-(2-Methylsulfonylethenyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylsulfonylethenyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylsulfonylethenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.