Disodium butane-1,4-disulfonate

C4H8Na2O6S2CAS 36589-61-4262.20 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
36589-61-4
SMILES
[O-]S(=O)(=O)CCCCS([O-])(=O)=O.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,4-Butanedisulfonic acid27665-39-0Free acid Adenosine, 5′-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5′-deoxy-, 1,4-butanedisulfonate (salt), 1,4-butanedisulfonate (salt) (2:1:2)101020-79-5Salt

Similar compounds

1,3-Propanedisulfonic acid disodium salt36589-58-989 % similar 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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