TPPTS

C18H12Na3O9PS3CAS 63995-70-0568.41 g/mol

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O−SOOPSO−OOSO−OONa+Na+Na+
PhosphineSulfonic acid

Properties

Molecular formula
C18H12Na3O9PS3
Molar mass
568.41 g/mol
Exact mass
567.9074 Da
logP
0.04Crippen estimate
Polar surface area
163.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

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
63995-70-0
SMILES
[O-]S(=O)(=O)c1cccc(P(c2cccc(S([O-])(=O)=O)c2)c2cccc(S([O-])(=O)=O)c2)c1.[Na+].[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

9 names
  • Benzenesulfonic acid, 3,3′,3′′-phosphinidynetris-, sodium salt (1:3)
  • 3,3′,3′′-Phosphinidynetris[benzenesulfonic acid] trisodium salt
  • Trisodium tris(m-sulfophenyl)phosphine
  • Benzenesulfonic acid, 3,3′,3′′-phosphinidynetris-, trisodium salt
  • Tris(m-sulfophenyl)phosphine trisodium salt
  • Tris(3-sulfophenyl)phosphine trisodium salt
  • Triphenylphosphine-m-trisulfonic acid trisodium salt
  • Trisodium tris(3-sulfonatophenyl)phosphine
  • Trisodium tris(m-sulfonatophenyl)phosphine

Work with TPPTS

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 m-benzenedisulfonate831-59-471 % similar Sodium m-aminobenzenesulfonate1126-34-759 % similar Sodium benzenesulfonate515-42-457 % similar Disodium 2,6-naphthalenedisulfonate1655-45-453 % similar Nitrol S127-68-453 % similar Disodium 2,7-naphthalenedisulfonate1655-35-252 % similar Sodium 2-naphthalenesulfonate532-02-551 % similar Disodium 1,6-naphthalenedisulfonate1655-43-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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