6-methylquinoline sulfate

• ChemBase ID: 796434
• Molecular Formular: C10H9NO4S--
• Molecular Mass: 239.24776
• Monoisotopic Mass: 239.02522877
• SMILES: S(=O)(=O)([O-])[O-].c1cc2c(cc1C)cccn2
• Canonical SMILES: [O-]S(=O)(=O)[O-].Cc1ccc2c(c1)cccn2
• InChI: InChI=1S/C10H9N.H2O4S/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-5(2,3)4/h2-7H,1H3;(H2,1,2,3,4)/p-2
• InChIKey: NBWMTAGNNSSNES-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinoline sulfate
• IUPAC Traditional name: 6-methylquinoline sulfate
• Synonyms: 6-Methylquinoline sulfate

Database IDs

• CAS Number: 61255-60-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5855634
• LogD (pH = 7.4): 2.6435251
• Log P: 2.644322
• Molar Refractivity: 45.0205 cm^3
• Polarizability: 18.842707 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%