chempirical

Tiron (chemical)

C6H4Na2O8S2CAS 149-45-1314.19 g/mol

Open in Covalent MOL file
O−SOOOHOHSO−OONa+Na+
PhenolSulfonic acid

Properties

Molecular formula
C6H4Na2O8S2
Molar mass
314.19 g/mol
Exact mass
313.9143 Da
logP
-1.17Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2

Identifiers

CAS number
149-45-1
SMILES
[O-]S(=O)(=O)c1cc(O)c(O)c(S([O-])(=O)=O)c1.[Na+].[Na+]
InChIKey
CQZKSRCKSMZXKF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;

Weigh it out

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

Names and synonyms

19 names · show all
  • 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2)
  • m-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt
  • 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt
  • 1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt
  • 4,5-Dihydroxy-m-benzenedisulfonic acid disodium salt
  • Disodium 1,2-dihydroxybenzene-3,5-disulfonate
  • SDD
  • Tiferron
  • Tiron
  • Sodium 1,2-dihydroxy-3,5-benzenedisulfonate
  • 3,5-Disulfocatechol disodium salt
  • Disodium 4,5-dihydroxy-m-benzenedisulfonate
  • Disodium 4,5-dihydroxybenzene-1,3-disulfonate
  • Sodium pyrocatechol-3,5-disulfonate
  • Disodium pyrocatechol-3,5-disulfonate
  • 4,5-Dihydroxybenzene-1,3-disulfonic acid disodium salt
  • WAS-21
  • Disodium catechol-3,5-disulfonate
  • Disodium 4,5-dihydroxy-1,3-benzenedisulfonate

Work with Tiron (chemical)

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

Chromotropic acid disodium salt dihydrate5808-22-055 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-154 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-754 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-351 % similar Sodium O-phenolsulfonate1300-51-250 % similar Sodium 3,5-dichloro-2-hydroxybenzenesulfonate54970-72-850 % similar 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-550 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-549 % similar

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

Elsewhere

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