![2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile structure](/static/products/1292/129222-57-7.webp)
2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile
TL;DR: 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile (CAS 129222-57-7) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)sulfonylmethyl]prop-2-enenitrile
Also Known As: 2-(Tosylmethyl)acrylonitrile, 2-{[(4-methylphenyl)sulfonyl]methyl}acrylonitrile, 2-{[(4-Methylphenyl)sulfonyl]methyl}, 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enenitrile, J3.563.880F
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 1.8485 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 506.51407 |
Chemical Identifiers
| CAS Number | 129222-57-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=C)C#N |
Product Overview
2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile (CAS 129222-57-7), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enenitrile.
Chemical Property Profile of 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile
Property Insights of 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile
The XLogP value of 1.8485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile 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 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile?
The CAS number of 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile is 129222-57-7.
What is the molecular formula of 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile?
The molecular formula of 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile is C11H11NO2S.
What is the molecular weight of 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile?
The molecular weight of 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile is 221.05 g/mol.
Where can I buy 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile?
You can request a quote for 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Methylphenyl)sulfonyl]methyl}acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.