3-(Toluene-4-sulfonyl)-propionitrile
TL;DR: 3-(Toluene-4-sulfonyl)-propionitrile (CAS 10154-80-0) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)sulfonylpropanenitrile
Also Known As: 3-tosylpropanenitrile, 3-(Toluene-4-sulfonyl)-propionitrile, 3-tosylpropiononitrile, 3-[(4-methylphenyl)sulfonyl]propanenitrile, 3-(4-methylbenzenesulfonyl)propanenitrile
Technical Specifications
| Molecular Formula | C10H11NO2S |
| Molecular Weight | 209.05106 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 Da |
| Heavy Atoms | 14 |
| Complexity | 312.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCC#N |
| InChIKey | UUALZLNCEFPJNN-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Toluene-4-sulfonyl)-propionitrile
Property Insights of 3-(Toluene-4-sulfonyl)-propionitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Toluene-4-sulfonyl)-propionitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Toluene-4-sulfonyl)-propionitrile. Following Lipinski's Rule of Five, 3-(Toluene-4-sulfonyl)-propionitrile 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-(Toluene-4-sulfonyl)-propionitrile?
The CAS number of 3-(Toluene-4-sulfonyl)-propionitrile is 10154-80-0.
What is the molecular formula of 3-(Toluene-4-sulfonyl)-propionitrile?
The molecular formula of 3-(Toluene-4-sulfonyl)-propionitrile is C10H11NO2S.
What is the molecular weight of 3-(Toluene-4-sulfonyl)-propionitrile?
The molecular weight of 3-(Toluene-4-sulfonyl)-propionitrile is 209.05106 g/mol.
Where can I buy 3-(Toluene-4-sulfonyl)-propionitrile?
You can request a quote for 3-(Toluene-4-sulfonyl)-propionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Toluene-4-sulfonyl)-propionitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Toluene-4-sulfonyl)-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.