ChemSpider 2D Image | 4-Methyl-2-(methylthio)-5-pyrimidinecarbonitrile | C7H7N3S

4-Methyl-2-(methylthio)-5-pyrimidinecarbonitrile

  • Molecular FormulaC7H7N3S
  • Average mass165.216 Da
  • Monoisotopic mass165.036072 Da
  • ChemSpider ID24605581

More details:

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

4-Methyl-2-(methylsulfanyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Methyl-2-(methylsulfanyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Méthyl-2-(méthylsulfanyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-Methyl-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-Methyl-2-(methylthio)-5-pyrimidinecarbonitrile
5-Pyrimidinecarbonitrile, 4-methyl-2-(methylthio)- [ACD/Index Name]
89079-62-9 [RN]
[89079-62-9] [RN]
1011-65-0 [RN]
4-methyl-2-(methylthio)pyrimidine-5-carbonitrile
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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: 326.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±3.0 kJ/mol
    Flash Point: 151.1±22.3 °C
    Index of Refraction: 1.583
    Molar Refractivity: 44.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.51
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 3.74
    ACD/KOC (pH 5.5): 89.52
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.74
    ACD/KOC (pH 7.4): 89.52
    Polar Surface Area: 75 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 63.6±5.0 dyne/cm
    Molar Volume: 132.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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