ChemSpider 2D Image | 1,2-DIHYDRO-6-(METHYLTHIO)-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE | C6H6N4OS

1,2-DIHYDRO-6-(METHYLTHIO)-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE

  • Molecular FormulaC6H6N4OS
  • Average mass182.203 Da
  • Monoisotopic mass182.026230 Da
  • ChemSpider ID21782982

More details:

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

1,2-DIHYDRO-6-(METHYLTHIO)-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE
100047-42-5 [RN]
3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-6-(methylthio)- [ACD/Index Name]
6-(Methylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-on [German] [ACD/IUPAC Name]
6-(Methylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [ACD/IUPAC Name]
6-(Méthylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [French] [ACD/IUPAC Name]
6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
1,2-dihydro-6-(methylthio)-3h-pyrazolo(3,4-d)pyrimidin-3-one
3h-pyrazolo[3,4-d]pyrimidin-3-one,1,2-dihydro-6-(methylthio)-
6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 316.9±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±3.0 kJ/mol
    Flash Point: 145.5±19.3 °C
    Index of Refraction: 1.705
    Molar Refractivity: 45.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 0.70
    ACD/BCF (pH 5.5): 2.02
    ACD/KOC (pH 5.5): 57.37
    ACD/LogD (pH 7.4): 0.67
    ACD/BCF (pH 7.4): 1.86
    ACD/KOC (pH 7.4): 53.01
    Polar Surface Area: 92 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 89.2±5.0 dyne/cm
    Molar Volume: 115.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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