Thimerosal

CAS Registry Number®

54-64-8
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CAS Name

Thimerosal

Molecular Formula

C9H9HgO2S.Na

Cite this Page

Thimerosal.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=54-64-8 (retrieved 2021-09-19) (CAS RN: 54-64-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=SKLIKZFOTSKEKY-UHFFFAOYSA-L

SMILES

O=C1C=2C([S-][Hg+2]([CH2-]C)[O-]1)=CC=CC2.[Na+]

Canonical SMILES

[Na+].O=C1[O-][Hg+2]([S-]C=2C=CC=CC12)[CH2-]C

Other Names for this Substance

  • 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

Deleted or Replaced CAS Registry Numbers

113170-85-7, 130995-49-2, 2141-27-7, 8030-33-9, 8030-32-8, 11004-81-2, 23065-35-2, 25948-50-9, 77536-61-9, 878791-13-0, 362653-08-5