2-(Propane-1-sulfonyl)acetonitrile
TL;DR: 2-(Propane-1-sulfonyl)acetonitrile (CAS 120069-21-8) is a chemical compound with molecular formula C5H9NO2S and molecular weight 147.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-propylsulfonylacetonitrile
Also Known As: Propanesulfonylacetonitrile, 2-propylsulfonylacetonitrile, 2-(propane-1-sulfonyl)acetonitrile, 2-(PROPYLSULFONYL)ACETONITRILE, (Propylsulfonyl)acetonitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9NO2S |
| Molecular Weight | 147.0354 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.0354 Da |
| Heavy Atoms | 9 |
| Complexity | 203.0 |
| SMILES | CCCS(=O)(=O)CC#N |
| InChIKey | OVGCBSNAUREBIE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Propane-1-sulfonyl)acetonitrile
Property Insights of 2-(Propane-1-sulfonyl)acetonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Propane-1-sulfonyl)acetonitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Propane-1-sulfonyl)acetonitrile. Following Lipinski's Rule of Five, 2-(Propane-1-sulfonyl)acetonitrile 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 2-(Propane-1-sulfonyl)acetonitrile?
The CAS number of 2-(Propane-1-sulfonyl)acetonitrile is 120069-21-8.
What is the molecular formula of 2-(Propane-1-sulfonyl)acetonitrile?
The molecular formula of 2-(Propane-1-sulfonyl)acetonitrile is C5H9NO2S.
What is the molecular weight of 2-(Propane-1-sulfonyl)acetonitrile?
The molecular weight of 2-(Propane-1-sulfonyl)acetonitrile is 147.0354 g/mol.
Where can I buy 2-(Propane-1-sulfonyl)acetonitrile?
You can request a quote for 2-(Propane-1-sulfonyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Propane-1-sulfonyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Propane-1-sulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.