ChemSpider 2D Image | Methyl [(5-nitro-2-pyridinyl)sulfanyl]acetate | C8H8N2O4S

Methyl [(5-nitro-2-pyridinyl)sulfanyl]acetate

  • Molecular FormulaC8H8N2O4S
  • Average mass228.225 Da
  • Monoisotopic mass228.020477 Da
  • ChemSpider ID25077065

More details:

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

[(5-Nitro-2-pyridinyl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(5-nitro-2-pyridinyl)thio]-, methyl ester [ACD/Index Name]
Methyl [(5-nitro-2-pyridinyl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-[(5-nitro-2-pyridinyl)sulfanyl]acetat [German] [ACD/IUPAC Name]
224635-20-5 [RN]
acetic acid, [(5-nitro-2-pyridinyl)thio]-, methyl ester
CE-0742
methyl [(5-nitropyridin-2-yl)thio]acetate
methyl 2-((5-nitropyridin-2-yl)thio)acetate
methyl 2-(5-nitro-2-pyridylthio)acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 368.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.5±3.0 kJ/mol
    Flash Point: 176.6±26.5 °C
    Index of Refraction: 1.587
    Molar Refractivity: 54.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): 1.13
    ACD/BCF (pH 5.5): 4.27
    ACD/KOC (pH 5.5): 98.34
    ACD/LogD (pH 7.4): 1.13
    ACD/BCF (pH 7.4): 4.27
    ACD/KOC (pH 7.4): 98.34
    Polar Surface Area: 110 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 62.4±5.0 dyne/cm
    Molar Volume: 161.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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