2,6-Dinitrotoluene-3-sulfonic acid
TL;DR: 2,6-Dinitrotoluene-3-sulfonic acid (CAS 226711-10-0) 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.
3-methyl-2,4-dinitrobenzenesulfonic acid
Also Known As: 2,6-DINITROTOLUENE-3-SULFONIC ACID, 3-methyl-2,4-dinitrobenzenesulfonic acid, 2,6-DINITROTOLUENE-3-SULFONICACID, 3-methyl-2,4-dinitrobenzene-1-sulfonic acid, 2,4-Dinitro-3-methylbenzenesulfonic acid
| Molecular Formula | C7H6N2O7S |
|---|---|
| Molecular Weight | 261.99 g/mol |
| LogP | 1.05812 |
| Topological Polar Surface Area | 140.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.98956 |
| Heavy Atoms | 17 |
| Complexity | 606.8934 |
Chemical Identifiers
| CAS Number | 226711-10-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-] |
Product Overview
2,6-Dinitrotoluene-3-sulfonic acid (CAS 226711-10-0), with molecular formula C7H6N2O7S and molecular weight 261.99 g/mol. IUPAC: 3-methyl-2,4-dinitrobenzenesulfonic acid.
Chemical Property Profile of 2,6-Dinitrotoluene-3-sulfonic acid
Property Insights of 2,6-Dinitrotoluene-3-sulfonic acid
The XLogP value of 1.05812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dinitrotoluene-3-sulfonic acid. The TPSA of 140.65 Ų indicates high polarity, suggesting 2,6-Dinitrotoluene-3-sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Dinitrotoluene-3-sulfonic acid has 1 hydrogen bond donor(s) and 6 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 2,6-Dinitrotoluene-3-sulfonic acid?
The CAS number of 2,6-Dinitrotoluene-3-sulfonic acid is 226711-10-0.
What is the molecular formula of 2,6-Dinitrotoluene-3-sulfonic acid?
The molecular formula of 2,6-Dinitrotoluene-3-sulfonic acid is C7H6N2O7S.
What is the molecular weight of 2,6-Dinitrotoluene-3-sulfonic acid?
The molecular weight of 2,6-Dinitrotoluene-3-sulfonic acid is 261.99 g/mol.
Where can I buy 2,6-Dinitrotoluene-3-sulfonic acid?
You can request a quote for 2,6-Dinitrotoluene-3-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dinitrotoluene-3-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitrotoluene-3-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.