chempirical

Calcium thioglycolate

C4H6CaO4S2CAS 814-71-1222.29 g/mol

Open in Covalent MOL file
O−OSHO−OSHCa2+
Carboxylic acidThiol

Properties

Molecular formula
C4H6CaO4S2
Molar mass
222.29 g/mol
Exact mass
221.9333 Da
logP
-0.38Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
814-71-1
SMILES
[O-]C(=O)CS.[O-]C(=O)CS.[Ca+2]
InChIKey
DOWVFKZNSMMYBE-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2S.Ca/c3-2(4)1-5;/h5H,1H2,(H,3,4);

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Names and synonyms

10 names
  • Acetic acid, 2-mercapto-, calcium salt (2:1)
  • Acetic acid, mercapto-, calcium salt (2:1)
  • Calcium thioglycollate
  • Depil
  • Ebacream
  • Jully
  • Surgex
  • Vikor
  • Bis[(2-sulfanylacetyl)oxy]calcium
  • Calcium mercaptoacetate

Work with Calcium thioglycolate

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

Potassium thioglycolate34452-51-271 % similar Sodium thioglycolate367-51-171 % similar Calcium glycinate35947-07-050 % similar Calcium propanoate4075-81-450 % similar Calcium butyrate5743-36-246 % similar Calcium levulinate591-64-043 % similar Calcium disodium edta62-33-941 % similar Calcium 2-oxoglutarate71686-01-641 % similar

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

Elsewhere

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