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Substance Name: 4-Chloromercuribenzenesulfonate
RN: 554-77-8
UNII: 5YIN07W42H
InChIKey: XXEBDPRHFAWOND-UHFFFAOYSA-M

Note

  • A cytotoxic sulfhydryl reagent that inhibits several subcellular metabolic systems and is used as a tool in cellular physiology.

Molecular Formula

  • C6-H5-Cl-Hg-O3-S

Molecular Weight

  • 393.2115
 

Classification Codes

  • Enzyme Inhibitors
  • Indicators and Reagents
  • Sulfhydryl Reagents
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Names and Synonyms

Name of Substance

  • 4-Chloromercuribenzenesulfonate

MeSH Heading

  • 4-Chloromercuribenzenesulfonate

Synonyms

  • 4-Chloromercuribenzenesulfonate
  • AI3-51823
  • Chloromercuriphenylsulfonate
  • p-Chloromercuribenzenesulfonate
  • p-Chloromercuriphenylsulfonate
  • PCMBS
  • UNII-5YIN07W42H

Systematic Names

  • Mercurate(1-), chloro(4-sulfonatophenyl)-, hydrogen
  • Mercury, chloro(4-sulfophenyl)-

Registry Numbers

CAS Registry Number

  • 554-77-8

FDA UNII

  • 5YIN07W42H

System Generated Number

  • 0000554778

Structure Descriptors

InChI

InChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1

InChIKey

XXEBDPRHFAWOND-UHFFFAOYSA-M

Smiles

OS(=O)(=O)c1ccc([Hg]Cl)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.550 (none)   EST
Water Solubility 4.60E+05 mg/L 25 EST
Vapor Pressure 9.94E-09 mm Hg 25 EST
Henry's Law Constant 2.27E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.57E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.