ChemSpider 2D Image | 1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid | C9H11N3O2S

1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid

  • Molecular FormulaC9H11N3O2S
  • Average mass225.268 Da
  • Monoisotopic mass225.057190 Da
  • ChemSpider ID27458607

More details:

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

1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
1-[2-(Methylsulfanyl)-4-pyrimidinyl]-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-[2-(Methylsulfanyl)-4-pyrimidinyl]-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1289386-12-4 [RN]
3-Azetidinecarboxylic acid, 1-[2-(methylthio)-4-pyrimidinyl]- [ACD/Index Name]
Acide 1-[2-(méthylsulfanyl)-4-pyrimidinyl]-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(2-methylsulfanylpyrimidin-4-yl)-azetidine-3-carboxylic acid
1-(2-Methylsulfanylpyrimidin-4-yl)azetidine-3-carboxylic acid
1-(2-Methylsulfanyl-pyrimidin-4-yl)-azetidine-3-carboxylic acid
1-[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]AZETIDINE-3-CARBOXYLIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 463.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±3.0 kJ/mol
    Flash Point: 233.9±25.9 °C
    Index of Refraction: 1.658
    Molar Refractivity: 57.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.37
    ACD/LogD (pH 5.5): -1.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.84
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 80.0±5.0 dyne/cm
    Molar Volume: 154.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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