chempirical

Disodium methanedisulfonate

CH2Na2O6S2CAS 5799-70-2220.12 g/mol

Open in Covalent MOL file
O−SOOSO−OONa+Na+
Sulfonic acid

Properties

Molecular formula
CH2Na2O6S2
Molar mass
220.12 g/mol
Exact mass
219.9088 Da
logP
-2.04Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
5799-70-2
SMILES
[O-]S(=O)(=O)CS([O-])(=O)=O.[Na+].[Na+]
InChIKey
YXMXTATWKFYBSA-UHFFFAOYSA-N
InChI
InChI=1S/CH4O6S2.2Na/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;

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

Names and synonyms

2 names
  • Methanedisulfonic acid, sodium salt (1:2)
  • Methanedisulfonic acid, disodium salt

Work with Disodium 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

Disodium 1,2-ethanedisulfonate5325-43-967 % similar Disodium butane-1,4-disulfonate36589-61-460 % similar Sodium hydroxymethanesulfonate870-72-457 % similar Propylsulfonic acid sodium salt14533-63-255 % similar Sodium 2-chloroethanesulfonate15484-44-352 % similar Sodium 2-hydroxyethyl sulfonate1562-00-152 % similar Mesna19767-45-452 % similar Sodium 2-bromoethanesulfonate4263-52-952 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook