3-(Phenylsulphonyl)propiononitrile
TL;DR: 3-(Phenylsulphonyl)propiononitrile (CAS 10154-75-3) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzenesulfonyl)propanenitrile
Also Known As: 3-(phenylsulfonyl)propanenitrile, 3-(benzenesulfonyl)propanenitrile, 3-(PHENYLSULFONYL)PROPIONITRILE, 3-Phenylsulfonylpropionitrile, 3-(Phenylsulphonyl)propiononitrile
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO2S |
| Molecular Weight | 195.0354 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0354 Da |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CCC#N |
| InChIKey | OVZPZPVSUAKTCM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Phenylsulphonyl)propiononitrile
Property Insights of 3-(Phenylsulphonyl)propiononitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylsulphonyl)propiononitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylsulphonyl)propiononitrile. Following Lipinski's Rule of Five, 3-(Phenylsulphonyl)propiononitrile 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-(Phenylsulphonyl)propiononitrile?
The CAS number of 3-(Phenylsulphonyl)propiononitrile is 10154-75-3.
What is the molecular formula of 3-(Phenylsulphonyl)propiononitrile?
The molecular formula of 3-(Phenylsulphonyl)propiononitrile is C9H9NO2S.
What is the molecular weight of 3-(Phenylsulphonyl)propiononitrile?
The molecular weight of 3-(Phenylsulphonyl)propiononitrile is 195.0354 g/mol.
Where can I buy 3-(Phenylsulphonyl)propiononitrile?
You can request a quote for 3-(Phenylsulphonyl)propiononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Phenylsulphonyl)propiononitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Phenylsulphonyl)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.