chempirical

Disodium butane-1,4-disulfonate

C4H8Na2O6S2CAS 36589-61-4262.20 g/mol

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

Properties

Molecular formula
C4H8Na2O6S2
Molar mass
262.20 g/mol
Exact mass
261.9558 Da
logP
-1.22Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
36589-61-4
SMILES
[O-]S(=O)(=O)CCCCS([O-])(=O)=O.[Na+].[Na+]
InChIKey
HQDMQCFIQZBDED-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O6S2.2Na/c5-11(6,7)3-1-2-4-12(8,9)10;;/h1-4H2,(H,5,6,7)(H,8,9,10);;

Weigh it out

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

Names and synonyms

2 names
  • 1,4-Butanedisulfonic acid, sodium salt (1:2)
  • 1,4-Butanedisulfonic acid, disodium salt

Work with Disodium butane-1,4-disulfonate

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-ethanedisulfonate5325-43-978 % similar Sodium pentanesulfonate22767-49-374 % similar Sodium decanesulfonate13419-61-971 % similar Sodium hexadecylsulfonate15015-81-371 % similar Sodium heptanesulfonate22767-50-671 % similar Sodium dodecylsulfonate2386-53-071 % similar Sodium hexanesulfonate2832-45-371 % similar Sodium 1-nonanesulfonate35192-74-671 % similar

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

Elsewhere

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