ChemSpider 2D Image | S-{3-[(4-Methyl-2-oxo-1,2-dihydro-7-quinolinyl)amino]-3-oxopropyl} methanesulfonothioate | C14H16N2O4S2

S-{3-[(4-Methyl-2-oxo-1,2-dihydro-7-quinolinyl)amino]-3-oxopropyl} methanesulfonothioate

  • Molecular FormulaC14H16N2O4S2
  • Average mass340.418 Da
  • Monoisotopic mass340.055145 Da
  • ChemSpider ID21896615

More details:

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

Méthanesulfonothioate de S-{3-[(4-méthyl-2-oxo-1,2-dihydro-7-quinoléinyl)amino]-3-oxopropyle} [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, S-[3-[(1,2-dihydro-4-methyl-2-oxo-7-quinolinyl)amino]-3-oxopropyl] ester [ACD/Index Name]
S-{3-[(4-Methyl-2-oxo-1,2-dihydro-7-chinolinyl)amino]-3-oxopropyl}-methansulfonothioat [German] [ACD/IUPAC Name]
S-{3-[(4-Methyl-2-oxo-1,2-dihydro-7-quinolinyl)amino]-3-oxopropyl} methanesulfonothioate [ACD/IUPAC Name]
1076199-71-7 [RN]
Carbostyril 124 N-Carboxyethyl Methanethiosulfonate
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-methylsulfonylsulfanylpropanamide
S-{3-[(4-Methyl-2-oxo-1,2-dihydroquinolin-7-yl)amino]-3-oxopropyl} methanesulfonothioate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 690.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.2±3.0 kJ/mol
    Flash Point: 371.3±31.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 85.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 2.90
    ACD/KOC (pH 5.5): 74.61
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 2.90
    ACD/KOC (pH 7.4): 74.60
    Polar Surface Area: 126 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 61.0±3.0 dyne/cm
    Molar Volume: 241.2±3.0 cm3

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