chempirical

1,5-Naphthalenedithiol

C10H8S2CAS 5325-88-2192.29 g/mol

Open in Covalent MOL file
SHHS
Thiol

Properties

Molecular formula
C10H8S2
Molar mass
192.29 g/mol
Exact mass
192.0067 Da
logP
3.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5325-88-2
SMILES
C1=CC2=C(C=CC=C2S)C(=C1)S
InChIKey
AAPAGLBSROJFGM-UHFFFAOYSA-N
InChI
InChI=1S/C10H8S2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H

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Names and synonyms

2 names
  • Naphthalene-1,5-dithiol
  • 1,5-Dimercaptonaphthalene

Work with 1,5-Naphthalenedithiol

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

Benzene-1,2-dithiol17534-15-556 % similar 2-Chlorobenzenethiol6320-03-248 % similar 2,3-Dichlorobenzenethiol17231-95-743 % similar 2-Bromothiophenol6320-02-143 % similar 2-Mercaptophenol1121-24-041 % similar 2-Methylbenzenethiol137-06-441 % similar 2-Aminothiophenol137-07-541 % similar 2-Fluorothiophenol2557-78-041 % similar

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

Same formula

2-(Phenylthio)thiophene16718-12-0

Elsewhere

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