Benzenesulfonic acid, 4-methyl-3-nitro-
TL;DR: Benzenesulfonic acid, 4-methyl-3-nitro- (CAS 97-06-3) 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-3-nitrobenzenesulfonic acid
Also Known As: 2-nitrotoluene-4-sulfonic acid, 4-methyl-3-nitrobenzenesulfonic acid, Benzenesulfonic acid, 4-methyl-3-nitro-, 2-Nitro-p-toluenesulphonic acid, o-Nitrotoluol-p-sulfosaure
| Molecular Formula | C7H7NO5S |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.00449 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 97-06-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | GJYYWZTYFNSZRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 4-methyl-3-nitro- (CAS 97-06-3), with molecular formula C7H7NO5S and molecular weight 217.00 g/mol. IUPAC: 4-methyl-3-nitrobenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-methyl-3-nitro-
Property Insights of Benzenesulfonic acid, 4-methyl-3-nitro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-methyl-3-nitro-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-methyl-3-nitro-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-methyl-3-nitro- 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 Benzenesulfonic acid, 4-methyl-3-nitro-?
The CAS number of Benzenesulfonic acid, 4-methyl-3-nitro- is 97-06-3.
What is the molecular formula of Benzenesulfonic acid, 4-methyl-3-nitro-?
The molecular formula of Benzenesulfonic acid, 4-methyl-3-nitro- is C7H7NO5S.
What is the molecular weight of Benzenesulfonic acid, 4-methyl-3-nitro-?
The molecular weight of Benzenesulfonic acid, 4-methyl-3-nitro- is 217.00 g/mol.
Where can I buy Benzenesulfonic acid, 4-methyl-3-nitro-?
You can request a quote for Benzenesulfonic acid, 4-methyl-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-methyl-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-methyl-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.