p-Toluenesulphonyl cyanide
TL;DR: p-Toluenesulphonyl cyanide (CAS 19158-51-1) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl)sulfonylformonitrile
Also Known As: Tosyl cyanide, p-Toluenesulfonyl cyanide, 4-Methylbenzenesulfonyl cyanide, p-Toluenesulphonyl cyanide, p-Tolylsulfonyl cyanide
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO2S |
| Molecular Weight | 181.01974 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.01974 Da |
| Heavy Atoms | 12 |
| Complexity | 285.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C#N |
| InChIKey | JONIMGVUGJVFQD-UHFFFAOYSA-N |
Chemical Property Profile of p-Toluenesulphonyl cyanide
Property Insights of p-Toluenesulphonyl cyanide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulphonyl cyanide. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluenesulphonyl cyanide. Following Lipinski's Rule of Five, p-Toluenesulphonyl cyanide 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 p-Toluenesulphonyl cyanide?
The CAS number of p-Toluenesulphonyl cyanide is 19158-51-1.
What is the molecular formula of p-Toluenesulphonyl cyanide?
The molecular formula of p-Toluenesulphonyl cyanide is C8H7NO2S.
What is the molecular weight of p-Toluenesulphonyl cyanide?
The molecular weight of p-Toluenesulphonyl cyanide is 181.01974 g/mol.
Where can I buy p-Toluenesulphonyl cyanide?
You can request a quote for p-Toluenesulphonyl cyanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Toluenesulphonyl cyanide?
Yes, CoreyChem provides custom synthesis services for p-Toluenesulphonyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.