2,4-Dinitrotoluene-6-sulfonic acid
TL;DR: 2,4-Dinitrotoluene-6-sulfonic acid (CAS 133-62-0) is a chemical compound with molecular formula C7H6N2O7S and molecular weight 261.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3,5-dinitrobenzenesulfonic acid
Also Known As: 2,4-Dinitrotoluene-6-sulfonic acid, Thionone Brown RO, 2-methyl-3,5-dinitrobenzenesulfonic acid, C.I.Sulphur Brown 42, 2-mercapto-butyric acid ethyl ester
| Molecular Formula | C7H6N2O7S |
|---|---|
| Molecular Weight | 261.99 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.98956 |
| Heavy Atoms | 17 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 133-62-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KFHPDUJFQBXXQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrotoluene-6-sulfonic acid (CAS 133-62-0), with molecular formula C7H6N2O7S and molecular weight 261.99 g/mol. IUPAC: 2-methyl-3,5-dinitrobenzenesulfonic acid.
Chemical Property Profile of 2,4-Dinitrotoluene-6-sulfonic acid
Property Insights of 2,4-Dinitrotoluene-6-sulfonic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrotoluene-6-sulfonic acid. The TPSA of 154.0 Ų indicates high polarity, suggesting 2,4-Dinitrotoluene-6-sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitrotoluene-6-sulfonic acid has 1 hydrogen bond donor(s) and 7 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 2,4-Dinitrotoluene-6-sulfonic acid?
The CAS number of 2,4-Dinitrotoluene-6-sulfonic acid is 133-62-0.
What is the molecular formula of 2,4-Dinitrotoluene-6-sulfonic acid?
The molecular formula of 2,4-Dinitrotoluene-6-sulfonic acid is C7H6N2O7S.
What is the molecular weight of 2,4-Dinitrotoluene-6-sulfonic acid?
The molecular weight of 2,4-Dinitrotoluene-6-sulfonic acid is 261.99 g/mol.
Where can I buy 2,4-Dinitrotoluene-6-sulfonic acid?
You can request a quote for 2,4-Dinitrotoluene-6-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrotoluene-6-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrotoluene-6-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.