ChemSpider 2D Image | 4-[4-(Methylsulfanyl)phenyl]-2-pyrimidinamine | C11H11N3S

4-[4-(Methylsulfanyl)phenyl]-2-pyrimidinamine

  • Molecular FormulaC11H11N3S
  • Average mass217.290 Da
  • Monoisotopic mass217.067368 Da
  • ChemSpider ID24600411

More details:

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

1206108-75-9 [RN]
2-Pyrimidinamine, 4-[4-(methylthio)phenyl]- [ACD/Index Name]
4-[4-(Methylsulfanyl)phenyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-[4-(Methylsulfanyl)phenyl]-2-pyrimidinamine [ACD/IUPAC Name]
4-[4-(Méthylsulfanyl)phényl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-[4-(methylsulfanyl)phenyl]pyrimidin-2-amine
2-pyrimidinamine, 4-[4-(methylthio)phenyl]
4-(4-(methylthio)phenyl)pyrimidin-2-amine
4-(4-methylsulfanylphenyl)pyrimidin-2-amine
4-(4-Methylsulfanyl-phenyl)-pyrimidin-2-ylamine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 455.8±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 229.5±29.3 °C
    Index of Refraction: 1.669
    Molar Refractivity: 63.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 2.46
    ACD/BCF (pH 5.5): 43.15
    ACD/KOC (pH 5.5): 512.66
    ACD/LogD (pH 7.4): 2.46
    ACD/BCF (pH 7.4): 43.89
    ACD/KOC (pH 7.4): 521.42
    Polar Surface Area: 77 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 68.1±5.0 dyne/cm
    Molar Volume: 169.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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