chempirical

Diethyl sulfate

C4H10O4SCAS 64-67-5154.18 g/mol

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Properties

Molecular formula
C4H10O4S
Molar mass
154.18 g/mol
Exact mass
154.0300 Da
Density
1.172 g/mL (at 25 °C)
Melting point
−25 °C
Boiling point
208 °C
logP
0.30Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
64-67-5
SMILES
CCOS(=O)(=O)OCC
InChIKey
DENRZWYUOJLTMF-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

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Names and synonyms

6 names
  • Sulfuric acid, diethyl ester
  • Ethyl sulfate (Et2SO4)
  • Diethyl sulphate
  • Ethyl sulfate
  • DES
  • NSC 56380

Work with Diethyl sulfate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl methanesulfonate62-50-052 % similar 1,3,2-Dioxathiolan-2,2-dioxide1072-53-350 % similar Ethyl chlorosulfate625-01-450 % similar 1,3,2λ6-Dioxathiane-2,2-dione1073-05-845 % similar Ethyl 1,1,1-trifluoromethanesulfonate425-75-244 % similar Ethyl benzenesulfonate515-46-839 % similar Methoxyethane540-67-037 % similar Ethyl P-toluenesulfonate80-40-037 % similar

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

Same formula

n-Butyl sulfate15507-13-8

Elsewhere

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