chempirical

1,8-Naphthosultone

C10H6O3SCAS 83-31-8206.22 g/mol

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Sulfonate ester

Properties

Molecular formula
C10H6O3S
Molar mass
206.22 g/mol
Exact mass
206.0038 Da
Melting point
156 °C
Boiling point
190 °C (at NaN Torr)
logP
1.92Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
83-31-8
SMILES
O=S1(=O)Oc2cccc3cccc1c23
InChIKey
IEIADDVJUYQKAZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O3S/c11-14(12)9-6-2-4-7-3-1-5-8(13-14)10(7)9/h1-6H

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Names and synonyms

5 names
  • Naphth[1,8-cd]-1,2-oxathiole, 2,2-dioxide
  • 1-Naphthalenesulfonic acid, 8-hydroxy-, γ-sultone
  • Naphthosultone
  • 1-Naphthol-8-sulfonic acid sultone
  • NSC 26341

Work with 1,8-Naphthosultone

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

1-Naphthol-8-sulfonic acid117-22-637 % similar Phenyl 2-aminobenzenesulfonate68227-69-037 % similar Peri acid82-75-736 % similar 1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-diyl bis(4-methylbenzenesulfonate)128544-06-933 % similar Pyrene129-00-033 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-133 % similar Genite97-16-533 % similar 1-Naphthalenesulfonyl chloride85-46-132 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook