chempirical

6,6′-Dithiobis[2-naphthalenol]

C20H14O2S2CAS 6088-51-3350.45 g/mol

Open in Covalent MOL file
HOSSOH
DisulfidePhenol

Properties

Molecular formula
C20H14O2S2
Molar mass
350.45 g/mol
Exact mass
350.0435 Da
Melting point
220–221 °C
logP
6.20Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
6088-51-3
SMILES
Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1
InChIKey
AHXGXXJEEHFHDK-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H

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Names and synonyms

8 names
  • 2-Naphthalenol, 6,6′-dithiobis-
  • 2-Naphthol, 6,6′-dithiodi-
  • 2,2′-Dihydroxy-6,6′-dinaphthyl disulfide
  • DDD (analytical)
  • (6,6′-Dihydroxy-2,2′-dinaphthyl)disulfide
  • NSC 87629
  • 6,6′-Dithiodi(2-naphthol)
  • Bis(6-hydroxy-2-naphthyl)disulfide

Work with 6,6′-Dithiobis[2-naphthalenol]

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

2,6-Dihydroxynaphthalene581-43-167 % similar 2,7-Naphthalenediol582-17-257 % similar 2-Naphthol135-19-356 % similar B-(6-Hydroxy-2-naphthalenyl)boronic acid173194-95-148 % similar 6-Isoquinolinol7651-82-347 % similar 2-Bromo-7-hydroxynaphthalene116230-30-945 % similar 4,4′-Thiodiphenol2664-63-344 % similar 6-Hydroxy-2-naphthoic acid16712-64-442 % similar

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

Elsewhere

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