3,5-Dichloro-4-methylbenzenesulfonic acid
TL;DR: 3,5-Dichloro-4-methylbenzenesulfonic acid (CAS 2225-18-5) is a chemical compound with molecular formula C7H6Cl2O3S and molecular weight 239.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-4-methylbenzenesulfonic acid
Also Known As: 3,5-dichloro-4-methylbenzenesulfonic acid, 2,6-Dichlorotoluene-4-sulfonic acid, 4-Methyl-3,5-dichlorobenzenesulfonic acid, 3,5-dichloro-4-methyl-benzenesulfonic Acid, 3,5-dichloro-4-methylbenzene-1-sulfonic acid
| Molecular Formula | C7H6Cl2O3S |
|---|---|
| Molecular Weight | 239.94 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.94147 |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 2225-18-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1Cl)S(=O)(=O)O)Cl |
| InChIKey | BKFMTSFTLSYCKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichloro-4-methylbenzenesulfonic acid (CAS 2225-18-5), with molecular formula C7H6Cl2O3S and molecular weight 239.94 g/mol. IUPAC: 3,5-dichloro-4-methylbenzenesulfonic acid.
Chemical Property Profile of 3,5-Dichloro-4-methylbenzenesulfonic acid
Property Insights of 3,5-Dichloro-4-methylbenzenesulfonic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichloro-4-methylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dichloro-4-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 3,5-Dichloro-4-methylbenzenesulfonic acid has 1 hydrogen bond donor(s) and 3 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 3,5-Dichloro-4-methylbenzenesulfonic acid?
The CAS number of 3,5-Dichloro-4-methylbenzenesulfonic acid is 2225-18-5.
What is the molecular formula of 3,5-Dichloro-4-methylbenzenesulfonic acid?
The molecular formula of 3,5-Dichloro-4-methylbenzenesulfonic acid is C7H6Cl2O3S.
What is the molecular weight of 3,5-Dichloro-4-methylbenzenesulfonic acid?
The molecular weight of 3,5-Dichloro-4-methylbenzenesulfonic acid is 239.94 g/mol.
Where can I buy 3,5-Dichloro-4-methylbenzenesulfonic acid?
You can request a quote for 3,5-Dichloro-4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloro-4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.