3-Aminobenzenesulfonic acid
TL;DR: 3-Aminobenzenesulfonic acid (CAS 121-47-1) is a chemical compound with molecular formula C6H7NO3S and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminobenzenesulfonic acid
Also Known As: Metanilic acid, 3-AMINOBENZENESULFONIC ACID, m-Sulfanilic acid, m-Anilinesulfonic acid, m-Aminobenzenesulfonic acid
| Molecular Formula | C6H7NO3S |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.01466 |
| Heavy Atoms | 11 |
| Complexity | 218.0 |
| Melting Point | Decomposes without melting |
| Density | 1.69 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 0.0000002 [mmHg] |
Chemical Identifiers
| CAS Number | 121-47-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)N |
| InChIKey | ZAJAQTYSTDTMCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Aminobenzenesulfonic acid (CAS 121-47-1), with molecular formula C6H7NO3S and molecular weight 173.01 g/mol. IUPAC: 3-aminobenzenesulfonic acid.
Chemical Property Profile of 3-Aminobenzenesulfonic acid
Property Insights of 3-Aminobenzenesulfonic acid
The XLogP value of -0.2 indicates that 3-Aminobenzenesulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminobenzenesulfonic acid. Following Lipinski's Rule of Five, 3-Aminobenzenesulfonic acid has 2 hydrogen bond donor(s) and 4 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-Aminobenzenesulfonic acid?
The CAS number of 3-Aminobenzenesulfonic acid is 121-47-1.
What is the molecular formula of 3-Aminobenzenesulfonic acid?
The molecular formula of 3-Aminobenzenesulfonic acid is C6H7NO3S.
What is the molecular weight of 3-Aminobenzenesulfonic acid?
The molecular weight of 3-Aminobenzenesulfonic acid is 173.01 g/mol.
Where can I buy 3-Aminobenzenesulfonic acid?
You can request a quote for 3-Aminobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.