Methyl-4-nitrobenzenesulfonate
TL;DR: Methyl-4-nitrobenzenesulfonate (CAS 6214-20-6) is a chemical compound with molecular formula C7H7NO5S and molecular weight 217.00449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-nitrobenzenesulfonate
Also Known As: Methyl 4-nitrobenzenesulfonate, Methyl p-nitrobenzenesulfonate, methyl nosylate, Methyl p-nitrotosylate, Methyl-4-nitrobenzenesulfonate
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO5S |
| Molecular Weight | 217.00449 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.00449 Da |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
| SMILES | COS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RMNJNEUWTBBZPT-UHFFFAOYSA-N |
Chemical Property Profile of Methyl-4-nitrobenzenesulfonate
Property Insights of Methyl-4-nitrobenzenesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-4-nitrobenzenesulfonate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-4-nitrobenzenesulfonate. Following Lipinski's Rule of Five, Methyl-4-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl-4-nitrobenzenesulfonate?
The CAS number of Methyl-4-nitrobenzenesulfonate is 6214-20-6.
What is the molecular formula of Methyl-4-nitrobenzenesulfonate?
The molecular formula of Methyl-4-nitrobenzenesulfonate is C7H7NO5S.
What is the molecular weight of Methyl-4-nitrobenzenesulfonate?
The molecular weight of Methyl-4-nitrobenzenesulfonate is 217.00449 g/mol.
Where can I buy Methyl-4-nitrobenzenesulfonate?
You can request a quote for Methyl-4-nitrobenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl-4-nitrobenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Methyl-4-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.