ChemSpider 2D Image | 6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid | C7H6N4O2S

6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

  • Molecular FormulaC7H6N4O2S
  • Average mass210.213 Da
  • Monoisotopic mass210.021149 Da
  • ChemSpider ID27288253

More details:

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

2H-Pyrazolo[3,4-d]pyrimidine-3-carboxylic acid, 6-(methylthio)- [ACD/Index Name]
55117-93-6 [RN]
6-(Methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-carbonsäure [German] [ACD/IUPAC Name]
6-(Methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid [ACD/IUPAC Name]
6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
Acide 6-(méthylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidine-3-carboxylique [French] [ACD/IUPAC Name]
1H-PYRAZOLO[3,4-D]PYRIMIDINE-3-CARBOXYLIC ACID, 6-(METHYLTHIO)-
MFCD24481849

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 428.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±3.0 kJ/mol
    Flash Point: 212.7±31.5 °C
    Index of Refraction: 1.754
    Molar Refractivity: 50.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.10
    ACD/LogD (pH 5.5): -2.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 117 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 120.7±5.0 dyne/cm
    Molar Volume: 123.5±5.0 cm3

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