4-nitrobenzenesulfinic Acid
TL;DR: 4-nitrobenzenesulfinic Acid (CAS 1199-67-3) is a chemical compound with molecular formula C6H5NO4S and molecular weight 186.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrobenzenesulfinic acid
Also Known As: 4-nitrobenzenesulfinic Acid, 4-nitro-benzenesulfinic acid, p-nitrobenzenesulfinic acid, Benzenesulfinic acid, 4-nitro-, 4-nitrobenzene-1-sulfinic acid
| Molecular Formula | C6H5NO4S |
|---|---|
| Molecular Weight | 186.99 g/mol |
| LogP | 1.1754 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.99393 |
| Heavy Atoms | 12 |
| Complexity | 287.8249 |
Chemical Identifiers
| CAS Number | 1199-67-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)O |
Product Overview
4-nitrobenzenesulfinic Acid (CAS 1199-67-3), with molecular formula C6H5NO4S and molecular weight 186.99 g/mol. IUPAC: 4-nitrobenzenesulfinic acid.
Chemical Property Profile of 4-nitrobenzenesulfinic Acid
Property Insights of 4-nitrobenzenesulfinic Acid
The XLogP value of 1.1754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitrobenzenesulfinic Acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzenesulfinic Acid. Following Lipinski's Rule of Five, 4-nitrobenzenesulfinic Acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-nitrobenzenesulfinic Acid?
The CAS number of 4-nitrobenzenesulfinic Acid is 1199-67-3.
What is the molecular formula of 4-nitrobenzenesulfinic Acid?
The molecular formula of 4-nitrobenzenesulfinic Acid is C6H5NO4S.
What is the molecular weight of 4-nitrobenzenesulfinic Acid?
The molecular weight of 4-nitrobenzenesulfinic Acid is 186.99 g/mol.
Where can I buy 4-nitrobenzenesulfinic Acid?
You can request a quote for 4-nitrobenzenesulfinic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrobenzenesulfinic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzenesulfinic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.