1,1'-Dimethyl 2,2'-thiobis(acetate)

C6H10O4SCAS 16002-29-2178.20 g/mol

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EsterSulfide

Properties

Molecular formula
C6H10O4S
Molar mass
178.20 g/mol
Exact mass
178.0300 Da
Boiling point
130 °C (at 15 Torr)
logP
0.07Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
16002-29-2
SMILES
COC(=O)CSCC(=O)OC
InChIKey
ZQUQLLPRRJVUES-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4S/c1-9-5(7)3-11-4-6(8)10-2/h3-4H2,1-2H3

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Names and synonyms

6 names
  • 1,1′-Dimethyl 2,2′-thiobis[acetate]
  • Acetic acid, 2,2′-thiobis-, 1,1′-dimethyl ester
  • Acetic acid, thiodi-, dimethyl ester
  • Acetic acid, 2,2′-thiobis-, dimethyl ester
  • Dimethyl thiodiacetate
  • Dimethyl thiodiglycolate

Work with 1,1'-Dimethyl 2,2'-thiobis(acetate)

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

Methyl (methylthio)acetate16630-66-365 % similar Dimethyl 3,3′-thiodipropionate4131-74-258 % similar Dimethyl succinate106-65-057 % similar Dimethyl malonate108-59-857 % similar 1,4-Oxathiane-2,6-dione3261-87-857 % similar Dimethyl glutarate1119-40-055 % similar Methyl propionate554-12-152 % similar Dimethyladipate627-93-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiodipropionic acid111-17-1 Tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide64096-87-3

Elsewhere

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