chempirical

Glycol dimercaptoacetate

C6H10O4S2CAS 123-81-9210.26 g/mol

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EsterThiol

Properties

Molecular formula
C6H10O4S2
Molar mass
210.26 g/mol
Exact mass
210.0021 Da
Boiling point
129–130 °C (at 5 Torr)
logP
-0.07Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Identifiers

CAS number
123-81-9
SMILES
O=C(CS)OCCOC(=O)CS
InChIKey
PSYGHMBJXWRQFD-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2

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Names and synonyms

18 names · show all
  • Acetic acid, 2-mercapto-, 1,1′-(1,2-ethanediyl) ester
  • Acetic acid, mercapto-, ethylene ester
  • Acetic acid, mercapto-, 1,2-ethanediyl ester
  • Ethylene glycol, bis(mercaptoacetate)
  • Ethylene glycol bis(thioglycolate)
  • Ethylene mercaptoacetate
  • Ethylene glycol bis(thioglycolic ester)
  • Glycol bis(mercaptoacetate)
  • Ethylenebis(thioglycolate)
  • Ethylene bis(mercaptoacetate)
  • PETP
  • EGTG (polythiol)
  • EGTG
  • Glycol(bis thioglycolate)
  • NSC 30032
  • Ethylene glycol bis(2-mercaptoacetate)
  • Thiocure GDMA
  • 2-[(2-Sulfanylacetyl)oxy]ethyl 2-sulfanylacetate

Work with Glycol dimercaptoacetate

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

Butyl thioglycolate10047-28-664 % similar Pentaerythritol tetrakis(2-mercaptoacetate)10193-99-461 % similar Ethyl mercaptoacetate623-51-861 % similar 1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)22504-50-357 % similar Methyl thioglycolate2365-48-252 % similar Trimethylolpropane tris(2-mercaptoacetate)10193-96-150 % similar Ethylene brassylate105-95-348 % similar P-Dioxanone3041-16-548 % similar

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

Same formula

3,3′-Dithiodipropionic acid1119-62-6

Elsewhere

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