2,4,6-Trichlorobenzenesulfonate
TL;DR: 2,4,6-Trichlorobenzenesulfonate (CAS 104778-51-0) is a chemical compound with molecular formula C6H3Cl3O3S and molecular weight 259.88684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trichlorobenzenesulfonic acid
Also Known As: 2,4,6-Tcbs, 2,4,6-trichlorobenzenesulfonic acid, 2,4,6-Trichlorobenzenesulfonate, 2,4,6-Trichlorobenzene-1-sulfonic acid, Benzenesulfonic acid,2,4,6-trichloro
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3Cl3O3S |
| Molecular Weight | 259.88684 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.88684 Da |
| Heavy Atoms | 13 |
| Complexity | 261.0 |
| SMILES | C1=C(C=C(C(=C1Cl)S(=O)(=O)O)Cl)Cl |
| InChIKey | SJDXJURIQGALGO-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Trichlorobenzenesulfonate
Property Insights of 2,4,6-Trichlorobenzenesulfonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trichlorobenzenesulfonate. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Trichlorobenzenesulfonate. Following Lipinski's Rule of Five, 2,4,6-Trichlorobenzenesulfonate 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 2,4,6-Trichlorobenzenesulfonate?
The CAS number of 2,4,6-Trichlorobenzenesulfonate is 104778-51-0.
What is the molecular formula of 2,4,6-Trichlorobenzenesulfonate?
The molecular formula of 2,4,6-Trichlorobenzenesulfonate is C6H3Cl3O3S.
What is the molecular weight of 2,4,6-Trichlorobenzenesulfonate?
The molecular weight of 2,4,6-Trichlorobenzenesulfonate is 259.88684 g/mol.
Where can I buy 2,4,6-Trichlorobenzenesulfonate?
You can request a quote for 2,4,6-Trichlorobenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trichlorobenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trichlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.