chempirical

1,3,2-Dioxathiolan-2,2-dioxide

C2H4O4SCAS 1072-53-3124.11 g/mol

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Properties

Molecular formula
C2H4O4S
Molar mass
124.11 g/mol
Exact mass
123.9830 Da
Melting point
99 °C
logP
-0.72Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
1072-53-3
SMILES
O=S1(=O)OCCO1
InChIKey
ZPFAVCIQZKRBGF-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2

Weigh it out

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

Names and synonyms

7 names
  • 1,3,2-Dioxathiolane, 2,2-dioxide
  • Ethylene glycol, cyclic sulfate
  • Ethylene sulfate (((CH2O)2SO2))
  • Ethylene sulfate
  • 1,2-Ethylene sulfate
  • NSC 526594
  • 1,3,2λ6-Dioxathiolane-2,2-dione

Work with 1,3,2-Dioxathiolan-2,2-dioxide

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

1,3,2λ6-Dioxathiane-2,2-dione1073-05-873 % similar Diethyl sulfate64-67-550 % similar 1,3-Propane sultone1120-71-435 % similar Dimethyl sulfate77-78-133 % similar Ethanolamine-O-sulfate926-39-633 % similar Busulfan55-98-132 % similar Oxathiane 4,4-dioxide107-61-930 % similar Methylene methanedisulfonate99591-74-930 % similar

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

Elsewhere

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