3-Nitrotoluene-4-sulfonic acid
TL;DR: 3-Nitrotoluene-4-sulfonic acid (CAS 65542-35-0) is a chemical compound with molecular formula C7H7NO5S and molecular weight 217.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-nitrobenzenesulfonic acid
Also Known As: 3-Nitrotoluene-4-sulfonic acid, 2-Nitro-p-toluenesulfonic acid, m-nitro-p-toluenesulfonic acid, 4-methyl-2-nitrobenzenesulfonic acid, 4-methyl-2-nitro-benzenesulfonic Acid
| Molecular Formula | C7H7NO5S |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | 1.14992 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.00449 |
| Heavy Atoms | 14 |
| Complexity | 478.85358 |
Chemical Identifiers
| CAS Number | 65542-35-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)O)[N+](=O)[O-] |
Product Overview
3-Nitrotoluene-4-sulfonic acid (CAS 65542-35-0), with molecular formula C7H7NO5S and molecular weight 217.00 g/mol. IUPAC: 4-methyl-2-nitrobenzenesulfonic acid.
Chemical Property Profile of 3-Nitrotoluene-4-sulfonic acid
Property Insights of 3-Nitrotoluene-4-sulfonic acid
The XLogP value of 1.14992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrotoluene-4-sulfonic acid. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrotoluene-4-sulfonic acid. Following Lipinski's Rule of Five, 3-Nitrotoluene-4-sulfonic acid has 1 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-Nitrotoluene-4-sulfonic acid?
The CAS number of 3-Nitrotoluene-4-sulfonic acid is 65542-35-0.
What is the molecular formula of 3-Nitrotoluene-4-sulfonic acid?
The molecular formula of 3-Nitrotoluene-4-sulfonic acid is C7H7NO5S.
What is the molecular weight of 3-Nitrotoluene-4-sulfonic acid?
The molecular weight of 3-Nitrotoluene-4-sulfonic acid is 217.00 g/mol.
Where can I buy 3-Nitrotoluene-4-sulfonic acid?
You can request a quote for 3-Nitrotoluene-4-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrotoluene-4-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrotoluene-4-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.