ChemSpider 2D Image | S-[2-[(1,2-Dihydro-4-methyl-2-oxo-7-quinolinyl)amino]-2-oxoethyl] methanesulfonothioate | C13H14N2O4S2

S-[2-[(1,2-Dihydro-4-methyl-2-oxo-7-quinolinyl)amino]-2-oxoethyl] methanesulfonothioate

  • Molecular FormulaC13H14N2O4S2
  • Average mass326.391 Da
  • Monoisotopic mass326.039490 Da
  • ChemSpider ID21896616

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1076199-73-9 [RN]
Méthanesulfonothioate de S-{2-[(4-méthyl-2-oxo-1,2-dihydro-7-quinoléinyl)amino]-2-oxoéthyle} [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, S-[2-[(1,2-dihydro-4-methyl-2-oxo-7-quinolinyl)amino]-2-oxoethyl] ester [ACD/Index Name]
S-[2-[(1,2-Dihydro-4-methyl-2-oxo-7-quinolinyl)amino]-2-oxoethyl] methanesulfonothioate
S-{2-[(4-Methyl-2-oxo-1,2-dihydro-7-chinolinyl)amino]-2-oxoethyl}-methansulfonothioat [German] [ACD/IUPAC Name]
S-{2-[(4-Methyl-2-oxo-1,2-dihydro-7-quinolinyl)amino]-2-oxoethyl} methanesulfonothioate [ACD/IUPAC Name]
Carbostyril 124 N-Carboxymethyl Methanethiosulfonate
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-methylsulfonylsulfanylacetamide
S-{2-[(4-Methyl-2-oxo-1,2-dihydroquinolin-7-yl)amino]-2-oxoethyl} methanesulfonothioate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 674.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.1±3.0 kJ/mol
    Flash Point: 361.8±31.5 °C
    Index of Refraction: 1.642
    Molar Refractivity: 81.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.45
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 2.10
    ACD/KOC (pH 5.5): 59.10
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 2.10
    ACD/KOC (pH 7.4): 59.10
    Polar Surface Area: 126 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 63.4±3.0 dyne/cm
    Molar Volume: 224.7±3.0 cm3

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