2,5-Dichlorobenzenesulfonic acid
TL;DR: 2,5-Dichlorobenzenesulfonic acid (CAS 88-42-6) is a chemical compound with molecular formula C6H4Cl2O3S and molecular weight 225.92583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dichlorobenzenesulfonic acid
Also Known As: 2,5-Dichlorobenzenesulfonic acid, null, 2,5-Dichlorobenzenesulphonic acid, 2,5-dichloro-benzenesulfonic acid, Benzenesulfonic acid, 2,5-dichloro-
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4Cl2O3S |
| Molecular Weight | 225.92583 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.92583 Da |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
| SMILES | C1=CC(=C(C=C1Cl)S(=O)(=O)O)Cl |
| InChIKey | LFXZSGVZSSMCMB-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Dichlorobenzenesulfonic acid
Property Insights of 2,5-Dichlorobenzenesulfonic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichlorobenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dichlorobenzenesulfonic acid. Following Lipinski's Rule of Five, 2,5-Dichlorobenzenesulfonic 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
What is the CAS number of 2,5-Dichlorobenzenesulfonic acid?
The CAS number of 2,5-Dichlorobenzenesulfonic acid is 88-42-6.
What is the molecular formula of 2,5-Dichlorobenzenesulfonic acid?
The molecular formula of 2,5-Dichlorobenzenesulfonic acid is C6H4Cl2O3S.
What is the molecular weight of 2,5-Dichlorobenzenesulfonic acid?
The molecular weight of 2,5-Dichlorobenzenesulfonic acid is 225.92583 g/mol.
Where can I buy 2,5-Dichlorobenzenesulfonic acid?
You can request a quote for 2,5-Dichlorobenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dichlorobenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 2,5-Dichlorobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.