chempirical

Methylene methanedisulfonate

C2H4O6S2CAS 99591-74-9188.17 g/mol

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Sulfonate ester

Properties

Molecular formula
C2H4O6S2
Molar mass
188.17 g/mol
Exact mass
187.9449 Da
logP
-1.39Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Identifiers

CAS number
99591-74-9
SMILES
O=S1(=O)CS(=O)(=O)OCO1
InChIKey
GWAOOGWHPITOEY-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O6S2/c3-9(4)2-10(5,6)8-1-7-9/h1-2H2

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

Names and synonyms

1 names
  • 1,5,2,4-Dioxadithiane, 2,2,4,4-tetraoxide

Work with Methylene methanedisulfonate

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-Propane sultone1120-71-438 % similar Methyl ethanesulfonate1912-28-335 % similar 1,3,2-Dioxathiolan-2,2-dioxide1072-53-330 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook