Disodium m-benzenedisulfonate

C₆H₄Na₂O₆S₂CAS 831-59-4282.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄Na₂O₆S₂
Molar mass: 282.19 g/mol
Exact mass: 281.9245 Da
logP: -0.58Crippen estimate
Polar surface area: 108.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

831-59-4

SMILES

[O-]S(=O)(=O)c1cccc(S([O-])(=O)=O)c1.[Na+].[Na+]

InChIKey

UELXBYZMJUIVTH-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O6S2.2Na/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;

Weigh it out

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

Names and synonyms

5 names

1,3-Benzenedisulfonic acid, disodium salt
1,3-Benzenedisulfonic acid, sodium salt (1:2)
m-Benzenedisulfonic acid, disodium salt
Disodium 1,3-benzenedisulfonate
Disodium benzene-1,3-disulfonic acid

Work with Disodium m-benzenedisulfonate

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

Sodium m-aminobenzenesulfonate1126-34-771 % similar Tppts63995-70-071 % similar Sodium benzenesulfonate515-42-471 % similar Disodium 2,6-naphthalenedisulfonate1655-45-465 % similar Disodium 2,7-naphthalenedisulfonate1655-35-263 % similar Nitrol S127-68-463 % similar Sodium 2-naphthalenesulfonate532-02-562 % similar Potassium diphenyl sulfone-3-sulfonate63316-43-861 % similar

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

Elsewhere

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