ChemSpider 2D Image | 4-(Chloromethyl)-2-(methylthio)pyrimidine | C6H7ClN2S

4-(Chloromethyl)-2-(methylthio)pyrimidine

  • Molecular FormulaC6H7ClN2S
  • Average mass174.651 Da
  • Monoisotopic mass174.001846 Da
  • ChemSpider ID30774827

More details:

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

4-(Chlormethyl)-2-(methylsulfanyl)pyrimidin [German] [ACD/IUPAC Name]
4-(Chloromethyl)-2-(methylsulfanyl)pyrimidine [ACD/IUPAC Name]
4-(Chlorométhyl)-2-(méthylsulfanyl)pyrimidine [French] [ACD/IUPAC Name]
4-(Chloromethyl)-2-(methylthio)pyrimidine
944902-34-5 [RN]
Pyrimidine, 4-(chloromethyl)-2-(methylthio)- [ACD/Index Name]
4-(chloromethyl)-2-methylsulfanylpyrimidine
MFCD10697080

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 296.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.4±3.0 kJ/mol
    Flash Point: 132.9±20.4 °C
    Index of Refraction: 1.579
    Molar Refractivity: 44.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 1.70
    ACD/BCF (pH 5.5): 11.46
    ACD/KOC (pH 5.5): 199.40
    ACD/LogD (pH 7.4): 1.70
    ACD/BCF (pH 7.4): 11.46
    ACD/KOC (pH 7.4): 199.40
    Polar Surface Area: 51 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 55.0±5.0 dyne/cm
    Molar Volume: 133.8±5.0 cm3

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