8-(quinolin-8-yldisulfanyl)quinoline

• ChemBase ID: 82046
• Molecular Formular: C18H12N2S2
• Molecular Mass: 320.43128
• Monoisotopic Mass: 320.04419039
• SMILES: S(c1c2ncccc2ccc1)Sc1c2ncccc2ccc1
• Canonical SMILES: c1ccc2c(n1)c(ccc2)SSc1cccc2c1nccc2
• InChI: InChI=1S/C18H12N2S2/c1-5-13-7-3-11-19-17(13)15(9-1)21-22-16-10-2-6-14-8-4-12-20-18(14)16/h1-12H
• InChIKey: ZGPTTYFYQZTJQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(quinolin-8-yldisulfanyl)quinoline
• IUPAC Traditional name: 8-(quinolin-8-yldisulfanyl)quinoline
• Synonyms: di(8-quinolyl) disulphide; 8,8'-DIQUINOLYL DISULFIDE

Database IDs

• CAS Number: 1160-28-7
• MDL Number: MFCD00041864
• PubChem SID: 162069165
• PubChem CID: 70876

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.883264
• LogD (pH = 7.4): 4.888981
• Log P: 4.8890543
• Molar Refractivity: 90.3028 cm^3
• Polarizability: 39.44827 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224464

MP Biomedicals Rare Chemical collection