Dimethyl 3,3′-dithiobis[propanoate]

C₈H₁₄O₄S₂CAS 15441-06-2238.32 g/mol

Open in Covalent MOL file

Disulfide Ester

Properties

Molecular formula: C₈H₁₄O₄S₂
Molar mass: 238.32 g/mol
Exact mass: 238.0334 Da
Density: 1.1825 g/mL (at 20 °C)
Boiling point: 134 °C (at 6.5 Torr)
logP: 1.49Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 7

Identifiers

CAS number

15441-06-2

SMILES

COC(=O)CCSSCCC(=O)OC

InChIKey

OSZKBWPMEPEYFU-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O4S2/c1-11-7(9)3-5-13-14-6-4-8(10)12-2/h3-6H2,1-2H3

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

Names and synonyms

7 names

Propanoic acid, 3,3′-dithiobis-, dimethyl ester
Propionic acid, 3,3′-dithiodi-, dimethyl ester
Dimethyl 3,3′-dithiodipropionate
Bis(methoxycarbonylethyl) disulfide
3,3′-Dithiodipropionic acid dimethyl ester
NSC 638709
Bis[2-(methoxycarbonyl)ethyl] disulfide

Work with Dimethyl 3,3′-dithiobis[propanoate]

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

Dimethyl 3,3′-thiodipropionate4131-74-274 % similar Methyl 3-(methylthio)propionate13532-18-868 % similar Dimethyl succinate106-65-067 % similar Dimethyl glutarate1119-40-064 % similar Dimethyl adipate627-93-061 % similar Methyl 3-mercaptopropionate2935-90-260 % similar Dimethyl sebacate106-79-658 % similar 1,12-Dimethyl dodecanedioate1731-79-958 % similar

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

Same formula

1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)22504-50-3 4,4′-Dithiodibutyric acid2906-60-7

Elsewhere

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