ChemSpider 2D Image | 4-Methoxy-2-(methylthio)-5-pyrimidinecarboxylic acid | C7H8N2O3S

4-Methoxy-2-(methylthio)-5-pyrimidinecarboxylic acid

  • Molecular FormulaC7H8N2O3S
  • Average mass200.215 Da
  • Monoisotopic mass200.025558 Da
  • ChemSpider ID21501530

More details:

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

4-Methoxy-2-(methylsulfanyl)-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
4-Methoxy-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
4-methoxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
4-Methoxy-2-(methylthio)-5-pyrimidinecarboxylic acid
5-Pyrimidinecarboxylic acid 4-methoxy-2-(methylthio)
5-Pyrimidinecarboxylic acid, 4-methoxy-2-(methylthio)- [ACD/Index Name]
84332-06-9 [RN]
Acide 4-méthoxy-2-(méthylsulfanyl)-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
[84332-06-9] [RN]
4-methoxy-2-(methylthio)
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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: 396.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.2±3.0 kJ/mol
    Flash Point: 193.3±22.3 °C
    Index of Refraction: 1.599
    Molar Refractivity: 47.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): -1.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 72.2±5.0 dyne/cm
    Molar Volume: 139.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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