ChemSpider 2D Image | 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile | C7H6ClN3S

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

  • Molecular FormulaC7H6ClN3S
  • Average mass199.661 Da
  • Monoisotopic mass198.997101 Da
  • ChemSpider ID32779761

More details:

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

1208170-17-5 [RN]
4-Chlor-6-methyl-2-(methylsulfanyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Chloro-6-methyl-2-(methylsulfanyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Chloro-6-méthyl-2-(méthylsulfanyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile, 4-chloro-6-methyl-2-(methylthio)- [ACD/Index Name]
4-CHLORO-6-METHYL-2-(METHYLSULFANYL)PYRIMIDINE-5-CARBONITRILE
4-chloro-6-methyl-2-(methylthio)-pyrimidine-5-carbonitrile
4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile
6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid;Adapalene
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 358.4±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 170.6±26.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 49.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 16.51
    ACD/KOC (pH 5.5): 259.03
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 16.51
    ACD/KOC (pH 7.4): 259.03
    Polar Surface Area: 75 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 67.2±5.0 dyne/cm
    Molar Volume: 143.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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