ChemSpider 2D Image | Methyl 5-(methylsulfanyl)nicotinate | C8H9NO2S

Methyl 5-(methylsulfanyl)nicotinate

  • Molecular FormulaC8H9NO2S
  • Average mass183.228 Da
  • Monoisotopic mass183.035400 Da
  • ChemSpider ID26051325

More details:

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

3-Pyridinecarboxylic acid, 5-(methylthio)-, methyl ester [ACD/Index Name]
5-(Méthylsulfanyl)nicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(methylsulfanyl)nicotinate [ACD/IUPAC Name]
Methyl-5-(methylsulfanyl)nicotinat [German] [ACD/IUPAC Name]
[74470-43-2] [RN]
74470-43-2 [RN]
Dibenzo-18-crown-6 [Wiki]
METHYL 5-(METHYLSULFANYL)PYRIDINE-3-CARBOXYLATE
Methyl 5-(Methylthio)nicotinate
methyl 5-methylsulfanylpyridine-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: 285.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.5±3.0 kJ/mol
    Flash Point: 126.5±23.2 °C
    Index of Refraction: 1.560
    Molar Refractivity: 48.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 10.18
    ACD/KOC (pH 5.5): 183.21
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 10.19
    ACD/KOC (pH 7.4): 183.37
    Polar Surface Area: 64 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 49.2±5.0 dyne/cm
    Molar Volume: 149.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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