Disodium 1,2-ethanedisulfonate

C₂H₄Na₂O₆S₂CAS 5325-43-9234.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₄Na₂O₆S₂
Molar mass: 234.15 g/mol
Exact mass: 233.9245 Da
logP: -2.00Crippen estimate
Polar surface area: 108.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

5325-43-9

SMILES

[O-]S(=O)(=O)CCS([O-])(=O)=O.[Na+].[Na+]

InChIKey

ILOQMYUFDKXIRS-UHFFFAOYSA-N

InChI

InChI=1S/C2H6O6S2.2Na/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;

Weigh it out

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

Names and synonyms

2 names

1,2-Ethanedisulfonic acid, sodium salt (1:2)
1,2-Ethanedisulfonic acid, disodium salt

Work with Disodium 1,2-ethanedisulfonate

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 butane-1,4-disulfonate36589-61-478 % similar Propylsulfonic acid sodium salt14533-63-270 % similar Sodium 2-chloroethanesulfonate15484-44-367 % similar Sodium 2-hydroxyethyl sulfonate1562-00-167 % similar Mesna19767-45-467 % similar Sodium 2-bromoethanesulfonate4263-52-967 % similar Disodium methanedisulfonate5799-70-267 % similar Sodium pipesate76836-02-764 % similar

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

Elsewhere

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