ChemSpider 2D Image | 5-(methylthio)-1H-pyrazole-3-carbaldehyde | C5H6N2OS

5-(methylthio)-1H-pyrazole-3-carbaldehyde

  • Molecular FormulaC5H6N2OS
  • Average mass142.179 Da
  • Monoisotopic mass142.020081 Da
  • ChemSpider ID23978644

More details:

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

1H-Pyrazole-3-carboxaldehyde, 5-(methylthio)- [ACD/Index Name]
5-(Methylsulfanyl)-1H-pyrazol-3-carbaldehyd [German] [ACD/IUPAC Name]
5-(Methylsulfanyl)-1H-pyrazole-3-carbaldehyde [ACD/IUPAC Name]
5-(Méthylsulfanyl)-1H-pyrazole-3-carbaldéhyde [French] [ACD/IUPAC Name]
5-(methylthio)-1H-pyrazole-3-carbaldehyde
569657-30-3 [RN]
[569657-30-3] [RN]
1H-Pyrazole-3-carboxaldehyde, 5-(methylthio)- (9CI)
3-methylsulfanyl-1H-pyrazole-5-carbaldehyde
5-(METHYLSULFANYL)-2H-PYRAZOLE-3-CARBALDEHYDE
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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: 357.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 170.0±23.7 °C
    Index of Refraction: 1.596
    Molar Refractivity: 36.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.41
    ACD/LogD (pH 5.5): 0.59
    ACD/BCF (pH 5.5): 1.66
    ACD/KOC (pH 5.5): 49.99
    ACD/LogD (pH 7.4): 0.59
    ACD/BCF (pH 7.4): 1.65
    ACD/KOC (pH 7.4): 49.87
    Polar Surface Area: 71 Å2
    Polarizability: 14.3±0.5 10-24cm3
    Surface Tension: 64.1±5.0 dyne/cm
    Molar Volume: 106.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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