1,1′-Thiobis(2-naphthol)

C20H14O2SCAS 17096-15-0318.39 g/mol

Open in Covalent MOL file
OHSHO
PhenolSulfide

Properties

Molecular formula
C20H14O2S
Molar mass
318.39 g/mol
Exact mass
318.0715 Da
Melting point
212 °C
logP
5.56Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
17096-15-0
SMILES
Oc1ccc2ccccc2c1Sc1c(O)ccc2ccccc12
InChIKey
HGYMQZVPTMKXGI-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O2S/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H

Weigh it out

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Names and synonyms

10 names
  • 2-Naphthalenol, 1,1′-thiobis-
  • 2-Naphthol, 1,1′-thiodi-
  • 1,1′-Thiobis[2-naphthalenol]
  • 1,1′-Thiobis(β-naphthol)
  • 1,1′-Thiodi-β-naphthol
  • Bis(2-hydroxy-1-naphthyl) sulfide
  • NSC 11877
  • Thiobis(2,2′-naphthol)
  • 1,1′-Thiobis(naphthalen-2-ol)
  • 1,1'-Thiobis(2-naphthol)

Work with 1,1′-Thiobis(2-naphthol)

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

1,2-Dihydroxynaphthalene574-00-563 % similar (+)-BINOL18531-94-759 % similar (-)-Binol18531-99-259 % similar 1,1′-Bi-2-naphthol602-09-559 % similar 1-Naphthol90-15-354 % similar 1-Amino-2-naphthol2834-92-653 % similar 1-Bromo-2-hydroxynaphthalene573-97-753 % similar 2-Hydroxy-1-naphthaldehyde708-06-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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