ChemSpider 2D Image | 2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one | C9H10N4OS

2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one

  • Molecular FormulaC9H10N4OS
  • Average mass222.267 Da
  • Monoisotopic mass222.057526 Da
  • ChemSpider ID28535322

More details:

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

2-allyl-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
955368-90-8 [RN]
MFCD19443206 [MDL number]
[955368-90-8] [RN]
2-Allyl-6-(methylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-on [German] [ACD/IUPAC Name]
2-Allyl-6-(methylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [ACD/IUPAC Name]
2-Allyl-6-(méthylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [French] [ACD/IUPAC Name]
2-allyl-6-(methylthio)-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
2-allyl-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: 1.4±0.1 g/cm3
    Boiling Point: 397.9±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.8±3.0 kJ/mol
    Flash Point: 194.4±28.4 °C
    Index of Refraction: 1.662
    Molar Refractivity: 58.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): 1.66
    ACD/BCF (pH 5.5): 10.74
    ACD/KOC (pH 5.5): 189.87
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 10.84
    ACD/KOC (pH 7.4): 191.68
    Polar Surface Area: 83 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 71.9±5.0 dyne/cm
    Molar Volume: 159.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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