4-Chloromercuribenzenesulfonic acid
TL;DR: 4-Chloromercuribenzenesulfonic acid (CAS 554-77-8) is a chemical compound with molecular formula C6H5ClHgO3S and molecular weight 393.93542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
chloro-(4-sulfophenyl)mercury
Also Known As: PCMBS, PCMPS, Chloromercuriphenylsulfonate, 4-Chloromercuribenzenesulfonate, p-Chloromercuribenzenesulfonate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClHgO3S |
| Molecular Weight | 393.93542 g/mol |
| XLogP | 0.79 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 393.93542 Da |
| Heavy Atoms | 12 |
| Complexity | 228.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)O)[Hg]Cl |
| InChIKey | XXEBDPRHFAWOND-UHFFFAOYSA-M |
Product Description
Applications: 4-Chloromercuribenzenesulfonic acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Chloromercuribenzenesulfonic acid (CAS 554-77-8) is a pharmaceutical intermediate with the molecular formula C6H5ClHgO3S and a molecular weight of 393.94 g/mol. Synonyms include PCMBS and PCMPS.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Chloromercuribenzenesulfonic acid
Property Insights of 4-Chloromercuribenzenesulfonic acid
The XLogP value of 0.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloromercuribenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloromercuribenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Chloromercuribenzenesulfonic 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 4-Chloromercuribenzenesulfonic acid?
The CAS number of 4-Chloromercuribenzenesulfonic acid is 554-77-8.
What is the molecular formula of 4-Chloromercuribenzenesulfonic acid?
The molecular formula of 4-Chloromercuribenzenesulfonic acid is C6H5ClHgO3S.
What is the molecular weight of 4-Chloromercuribenzenesulfonic acid?
The molecular weight of 4-Chloromercuribenzenesulfonic acid is 393.93542 g/mol.
What are the applications of 4-Chloromercuribenzenesulfonic acid?
4-Chloromercuribenzenesulfonic acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Chloromercuribenzenesulfonic acid?
You can request a quote for 4-Chloromercuribenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloromercuribenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloromercuribenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.