ChemSpider 2D Image | 4,6-Dichloro-3-(Methylthio)-1H-Pyrazolo[3,4-D]Pyrimidine | C6H4Cl2N4S

4,6-Dichloro-3-(Methylthio)-1H-Pyrazolo[3,4-D]Pyrimidine

  • Molecular FormulaC6H4Cl2N4S
  • Average mass235.094 Da
  • Monoisotopic mass233.953369 Da
  • ChemSpider ID22524992

More details:

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

1037479-36-9 [RN]
1H-Pyrazolo[3,4-d]pyrimidine, 4,6-dichloro-3-(methylthio)- [ACD/Index Name]
4,6-Dichlor-3-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4,6-Dichloro-3-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4,6-Dichloro-3-(méthylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
4,6-Dichloro-3-(Methylthio)-1H-Pyrazolo[3,4-D]Pyrimidine
[1037479-36-9] [RN]
4,6-bis(chloranyl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
4,6-dichloro-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
MFCD11518915 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.730
    Molar Refractivity: 53.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 1.91
    ACD/BCF (pH 5.5): 16.40
    ACD/KOC (pH 5.5): 253.45
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 3.07
    ACD/KOC (pH 7.4): 47.46
    Polar Surface Area: 80 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 96.3±5.0 dyne/cm
    Molar Volume: 135.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement