chempirical

Indol-3-yl potassium sulfate

C8H6KNO4SCAS 2642-37-7251.30 g/mol

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O−SOOONHK+

Properties

Molecular formula
C8H6KNO4S
Molar mass
251.30 g/mol
Exact mass
250.9655 Da
logP
0.97Crippen estimate
Polar surface area
79.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
2642-37-7
SMILES
[O-]S(=O)(=O)Oc1c[nH]c2ccccc12.[K+]
InChIKey
KXEKCFYZDDYZRX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);

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Names and synonyms

7 names
  • 1H-Indol-3-ol, 3-(hydrogen sulfate), potassium salt (1:1)
  • Indol-3-ol, hydrogen sulfate (ester), monopotassium salt
  • 1H-Indol-3-ol, hydrogen sulfate (ester), monopotassium salt
  • Indol-3-ol, potassium sulfate
  • Indol-3-yl sulfate, potassium salt
  • Potassium indol-3-yl sulfate
  • Indoxyl sulfate potassium salt

Work with Indol-3-yl potassium sulfate

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

Indoxyl acetate608-08-247 % similar 3-Indolylacetic acid potassium salt2338-19-440 % similar Dipotassium 2-hydroxy-5-nitrophenyl sulfate14528-64-437 % similar Potassium P-nitrophenyl sulfate6217-68-136 % similar 3,3'-Diindolylmethane1968-05-435 % similar Indoxyl480-93-335 % similar Skatole83-34-135 % similar Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)62625-16-534 % similar

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

Elsewhere

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