3-((4-Methylphenyl)sulfonyl)-2-propenenitrile
TL;DR: 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile (CAS 19542-67-7) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: Caswell No. 859A, (E)-3-Tosylacrylonitrile, 3-(p-Tolylsulfonyl)acrylonitrile, bay 11-7082, 3-(4-Tolylsulfonyl)acrylonitrile
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.0354 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 Da |
| Heavy Atoms | 14 |
| Complexity | 347.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C=CC#N |
| InChIKey | DOEWDSDBFRHVAP-UHFFFAOYSA-N |
Chemical Property Profile of 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile
Property Insights of 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile. Following Lipinski's Rule of Five, 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile 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 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile?
The CAS number of 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile is 19542-67-7.
What is the molecular formula of 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile?
The molecular formula of 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile is C10H9NO2S.
What is the molecular weight of 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile?
The molecular weight of 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile is 207.0354 g/mol.
Where can I buy 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile?
You can request a quote for 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile?
Yes, CoreyChem provides custom synthesis services for 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.