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

C₈H₁₄O₄S₂CAS 22504-50-3238.32 g/mol

Open in Covalent MOL file

Ester Thiol

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 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7

Hazards

Danger

H302+H312 Harmful if swallowed or in contact with skin68.6% of notifiers
H302 Harmful if swallowed95.4% of notifiers
H312 Harmful in contact with skin80.4% of notifiers
H317 May cause an allergic skin reaction81% of notifiers
H318 Causes serious eye damage11.8% of notifiers
H319 Causes serious eye irritation70.6% of notifiers
H400 Very toxic to aquatic life81% of notifiers
H410 Very toxic to aquatic life with long lasting effects81% of notifiers
H411 Toxic to aquatic life with long lasting effects14.4% of notifiers

Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P391, P501

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

Weigh it out

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

Names and synonyms

20 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
Ethylene bis(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 2-((3-(3-Mercapto-1-oxopropoxy)-2,2-bis((3-mercapto-1-oxopropoxy)methyl)propoxy)methyl)-2-((3-mercapto-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-mercaptopropionate)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'-dithiobispropionate15441-06-2 4,4′-Dithiodibutyric acid2906-60-7

Elsewhere

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