chempirical

1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)

C8H14O4S2CAS 22504-50-3238.32 g/mol

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EsterThiol

Properties

Molecular formula
C8H14O4S2
Molar mass
238.32 g/mol
Exact mass
238.0334 Da
Melting point
148 °C
logP
0.71Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
7

Identifiers

CAS number
22504-50-3
SMILES
O=C(CCS)OCCOC(=O)CCS
InChIKey
HAQZWTGSNCDKTK-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4S2/c9-7(1-5-13)11-3-4-12-8(10)2-6-14/h13-14H,1-6H2

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

Names and synonyms

19 names · show all
  • Propanoic acid, 3-mercapto-, 1,1′-(1,2-ethanediyl) ester
  • Propionic acid, 3-mercapto-, ethylene ester
  • Propanoic acid, 3-mercapto-, 1,2-ethanediyl ester
  • Ethylene glycol, bis(3-mercaptopropionate)
  • Ethylene glycol bis(β-mercaptopropionate)
  • Ethylene 3-mercaptopropionate
  • Ethylenebis(3-mercaptopropionate)
  • E 23 (Crosslinking agent)
  • Ethylene glycol di(β-mercaptopropionate)
  • Ethylenebis(β-mercaptopropionate)
  • E 23
  • Ethylene glycol di(3-mercaptopropionate)
  • 1,2-Ethylene glycol bis(3-mercaptopropionate)
  • Thiocure GDMP
  • GDMP
  • Glycol dimercaptopropionate
  • Ethane-1,2-diyl bis(3-sulfanylpropanoate)
  • Ethylene glycol bis(mercaptopropionate)
  • Glycol di-3-mercaptopropionate

Work with 1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)

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

Ethyl 3-mercaptopropionate5466-06-864 % similar Pentaerythritol tetra(3-mercaptopropionate)7575-23-764 % similar Ethylene brassylate105-95-364 % similar 1,1′,1′′-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl] tris(3-mercaptopropanoate)36196-44-860 % similar Gamma-butyrolactone96-48-059 % similar 1,1′-[2-[[3-(3-Mercapto-1-oxopropoxy)-2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propoxy]methyl]-2-[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] bis(3-mercaptopropanoate)25359-71-157 % similar Beta-propiolactone57-57-857 % similar Glycol dimercaptoacetate123-81-957 % similar

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

Same formula

Dimethyl 3,3′-dithiobis[propanoate]15441-06-2 4,4′-Dithiodibutyric acid2906-60-7

Elsewhere

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