chempirical

Thiomersal

C9H9HgNaO2SCAS 54-64-8404.81 g/mol

Open in Covalent MOL file
OO−S−H2C−Hg2+Na+
Carboxylic acid

Properties

Molecular formula
C9H9HgNaO2S
Molar mass
404.81 g/mol
Exact mass
405.9927 Da
logP
-2.20Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
54-64-8
SMILES
O=C([O-])c1ccccc1[S-].[CH2-]C.[Hg+2].[Na+]
InChIKey
SKLIKZFOTSKEKY-UHFFFAOYSA-L
InChI
InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;-1;+2;+1/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

28 names · show all
  • Mercurate(1-), ethyl[2-(mercapto-κS)benzoato(2-)-κO]-, sodium (1:1)
  • Mercury, ethyl(hydrogen o-mercaptobenzoato)-, sodium salt
  • Mercurate(1-), ethyl[2-mercaptobenzoato(2-)-O,S]-, sodium
  • Mercurate(1-), ethyl[2-(mercapto-κS)benzoato(2-)-κO]-, sodium
  • Benzoic acid, 2-mercapto-, mercury complex
  • [(o-Carboxyphenyl)thio]ethylmercury sodium salt
  • Elicide
  • o-(Ethylmercurithio)benzoic acid sodium salt
  • Merfamin
  • Merthiolate
  • Merthiolate sodium
  • Mertorgan
  • SET
  • Sodium o-(ethylmercurithio)benzoate
  • Thimerosal
  • Thimersalate
  • Thiomersalate
  • Merzonin
  • Mercurothiolate
  • Nosemack
  • Sodium 2-(ethylmercurithio)benzoate
  • Merseptyl
  • Thiomersalat
  • Ethylmercurithiosalicylate sodium salt
  • Sodium merthiolate
  • Vitaseptol
  • NSC 4794
  • Elcide 73

Work with Thiomersal

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium o-fluorobenzoate490-97-145 % similar Sodium salicylate54-21-745 % similar Sodium benzoate532-32-140 % similar Sodium 3-hydroxy-2-naphthoate14206-62-338 % similar Methyl red sodium salt845-10-337 % similar Disodium bicinchoninate979-88-437 % similar Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, sodium salt (1:1)1701446-41-436 % similar Potassium phthalate29801-94-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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