TL;DR: p-chloromercuribenzenesulfonic acid sodium salt (CAS 14110-97-5) is a chemical compound with molecular formula C6H4ClHgNaO3S and molecular weight 415.9174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium chloro-(4-sulfonatophenyl)mercury
Also Known As: PCMBS, 4-(Chloromercuri)benzenesulfonic Acid Sodium Salt, Sodium p-chloromercuriphenylsulfonate, Sodium p-chloromercuribenzenesulfonate, Sodium Chloro-(4-sulfonatophenyl)mercury
| Molecular Formula | C6H4ClHgNaO3S |
| Molecular Weight | 415.9174 g/mol |
| XLogP | -2.5437 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 415.9174 Da |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)[O-])[Hg]Cl.[Na+] |
| InChIKey | BPDSRKSETVILKT-UHFFFAOYSA-L |
The XLogP value of -2.5437 indicates that p-chloromercuribenzenesulfonic acid sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for p-chloromercuribenzenesulfonic acid sodium salt. Following Lipinski's Rule of Five, p-chloromercuribenzenesulfonic acid sodium salt has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of p-chloromercuribenzenesulfonic acid sodium salt is 14110-97-5.
The molecular formula of p-chloromercuribenzenesulfonic acid sodium salt is C6H4ClHgNaO3S.
The molecular weight of p-chloromercuribenzenesulfonic acid sodium salt is 415.9174 g/mol.
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