ChemSpider 2D Image | Methyl 1-cyclohexyl-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate | C18H22N2O2S

Methyl 1-cyclohexyl-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC18H22N2O2S
  • Average mass330.444 Da
  • Monoisotopic mass330.140198 Da
  • ChemSpider ID10750137

More details:

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

1-Cyclohexyl-5-[4-(méthylsulfanyl)phényl]-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 1-cyclohexyl-5-[4-(methylthio)phenyl]-, methyl ester [ACD/Index Name]
346684-16-0 [RN]
Methyl 1-cyclohexyl-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate
Methyl 1-cyclohexyl-5-(4-methylsulfanylphenyl)-1H-pyrazole-3-carboxylate
Methyl 1-cyclohexyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-cyclohexyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
[346684-16-0] [RN]
METHYL 1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
METHYL 1-CYCLOHEXYL-5-[4-(METHYLSULFANYL)PHENYL]PYRAZOLE-3-CARBOXYLATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 501.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 257.3±28.7 °C
    Index of Refraction: 1.621
    Molar Refractivity: 94.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.40
    ACD/LogD (pH 5.5): 4.69
    ACD/BCF (pH 5.5): 2151.31
    ACD/KOC (pH 5.5): 8455.60
    ACD/LogD (pH 7.4): 4.69
    ACD/BCF (pH 7.4): 2151.31
    ACD/KOC (pH 7.4): 8455.63
    Polar Surface Area: 69 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 45.5±7.0 dyne/cm
    Molar Volume: 268.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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