ChemSpider 2D Image | 4-Amino-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile | C7H8N4S

4-Amino-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile

  • Molecular FormulaC7H8N4S
  • Average mass180.230 Da
  • Monoisotopic mass180.046967 Da
  • ChemSpider ID27656056

More details:

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

4-Amino-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile
89853-27-0 [RN]
[89853-27-0] [RN]
3-pyrrol-1-ylthiophene-2-carboxylic acid
4-Amino-6-methyl-2-(methylsulfanyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-6-methyl-2-(methylsulfanyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-6-méthyl-2-(méthylsulfanyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-Amino-6-methyl-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-Amino-6-methyl-2-(methylsulfanyl)-pyrimidine-5-carbonitrile
4-amino-6-methyl-2-methylsulfanylpyrimidine-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: 405.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.7±3.0 kJ/mol
    Flash Point: 198.8±28.7 °C
    Index of Refraction: 1.623
    Molar Refractivity: 47.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 5.20
    ACD/KOC (pH 5.5): 113.26
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 5.20
    ACD/KOC (pH 7.4): 113.34
    Polar Surface Area: 101 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 76.7±5.0 dyne/cm
    Molar Volume: 135.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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