1,1′-Thiobis(2-naphthol)

C₂₀H₁₄O₂SCAS 17096-15-0318.39 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

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

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Names and synonyms

9 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)

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

Elsewhere

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