3-Nitrobenzenesulfonic acid
TL;DR: 3-Nitrobenzenesulfonic acid (CAS 98-47-5) is a chemical compound with molecular formula C6H5NO5S and molecular weight 202.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrobenzenesulfonic acid
Also Known As: 3-NITROBENZENESULFONIC ACID, m-Nitrobenzenesulfonic acid, null, Benzenesulfonic acid, 3-nitro-, m-Nitrobenzensulfonic acid
| Molecular Formula | C6H5NO5S |
|---|---|
| Molecular Weight | 202.99 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.98885 |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 98-47-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | ONMOULMPIIOVTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrobenzenesulfonic acid (CAS 98-47-5), with molecular formula C6H5NO5S and molecular weight 202.99 g/mol. IUPAC: 3-nitrobenzenesulfonic acid.
Chemical Property Profile of 3-Nitrobenzenesulfonic acid
Property Insights of 3-Nitrobenzenesulfonic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzenesulfonic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzenesulfonic acid. Following Lipinski's Rule of Five, 3-Nitrobenzenesulfonic acid has 1 hydrogen bond donor(s) and 5 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 3-Nitrobenzenesulfonic acid?
The CAS number of 3-Nitrobenzenesulfonic acid is 98-47-5.
What is the molecular formula of 3-Nitrobenzenesulfonic acid?
The molecular formula of 3-Nitrobenzenesulfonic acid is C6H5NO5S.
What is the molecular weight of 3-Nitrobenzenesulfonic acid?
The molecular weight of 3-Nitrobenzenesulfonic acid is 202.99 g/mol.
Where can I buy 3-Nitrobenzenesulfonic acid?
You can request a quote for 3-Nitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.