chempirical

Dimethyl 3,3′-thiodipropionate

C8H14O4SCAS 4131-74-2206.26 g/mol

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EsterSulfide

Properties

Molecular formula
C8H14O4S
Molar mass
206.26 g/mol
Exact mass
206.0613 Da
Density
1.156 g/mL (at 20 °C)
Boiling point
148.5–149 °C (at 8 Torr)
logP
0.85Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Identifiers

CAS number
4131-74-2
SMILES
COC(=O)CCSCCC(=O)OC
InChIKey
MYWWWNVEZBAKHR-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Propanoic acid, 3,3′-thiobis-, 1,1′-dimethyl ester
  • Propanoic acid, 3,3′-thiobis-, dimethyl ester
  • Propionic acid, 3,3′-thiodi-, dimethyl ester
  • Dimethyl thiodipropionate
  • Thiodipropionic acid dimethyl ester
  • Bis(2-methoxycarbonylethyl) sulfide
  • β,β′-Dicarbomethoxydiethyl sulfide
  • 3,3′-Thiobis(methyl propionate)
  • NSC 2244
  • NSC 35224
  • Mark 5152

Work with Dimethyl 3,3′-thiodipropionate

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′-dithiobis[propanoate]15441-06-274 % similar Methyl 3-(methylthio)propionate13532-18-868 % similar Dimethyl succinate106-65-067 % similar Dimethyl glutarate1119-40-064 % similar Dimethyl adipate627-93-061 % similar Dimethyl sebacate106-79-658 % similar 1,1′-Dimethyl 2,2′-thiobis[acetate]16002-29-258 % similar 1,12-Dimethyl dodecanedioate1731-79-958 % similar

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

Same formula

Diethyl thiodiglycolate925-47-3

Elsewhere

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