Cyanomethyl benzenesulphonate
TL;DR: Cyanomethyl benzenesulphonate (CAS 10531-13-2) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyanomethyl benzenesulfonate
Also Known As: Cyanomethyl benzenesulfonate, 3-Penoxypropionicacid, Cyanomethyl benzenesulphonate, Cyanomethylbenzenesulfonate, phenylsulfonyloxyacetonitrile
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO3S |
| Molecular Weight | 197.01466 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.01466 Da |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OCC#N |
| InChIKey | SSOVHFPWMPUQOS-UHFFFAOYSA-N |
Chemical Property Profile of Cyanomethyl benzenesulphonate
Property Insights of Cyanomethyl benzenesulphonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl benzenesulphonate. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl benzenesulphonate. Following Lipinski's Rule of Five, Cyanomethyl benzenesulphonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyanomethyl benzenesulphonate?
The CAS number of Cyanomethyl benzenesulphonate is 10531-13-2.
What is the molecular formula of Cyanomethyl benzenesulphonate?
The molecular formula of Cyanomethyl benzenesulphonate is C8H7NO3S.
What is the molecular weight of Cyanomethyl benzenesulphonate?
The molecular weight of Cyanomethyl benzenesulphonate is 197.01466 g/mol.
Where can I buy Cyanomethyl benzenesulphonate?
You can request a quote for Cyanomethyl benzenesulphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyanomethyl benzenesulphonate?
Yes, CoreyChem provides custom synthesis services for Cyanomethyl benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.