ChemSpider 2D Image | MFCD04115102 | C17H20N2O2S

MFCD04115102

  • Molecular FormulaC17H20N2O2S
  • Average mass316.418 Da
  • Monoisotopic mass316.124542 Da
  • ChemSpider ID24721755

More details:

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

1017781-24-6 [RN]
1-Cyclohexyl-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylic acid
1-Cyclohexyl-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylic acid
1-Cyclohexyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-Cyclohexyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid
Acide 1-cyclohexyl-5-[4-(méthylsulfanyl)phényl]-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD04115102
[1017781-24-6] [RN]
1-Cyclohexyl-5-(4-methylsulfanylphenyl)-1H-pyrazole-3-carboxylic acid
1-cyclohexyl-5-[4-(methylsulfanyl)phenyl]pyrazole-3-carboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 537.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.7±3.0 kJ/mol
    Flash Point: 278.9±28.7 °C
    Index of Refraction: 1.654
    Molar Refractivity: 89.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.28
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 42.20
    ACD/KOC (pH 5.5): 197.69
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 1.36
    ACD/KOC (pH 7.4): 6.39
    Polar Surface Area: 80 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 51.1±7.0 dyne/cm
    Molar Volume: 244.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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