ChemSpider 2D Image | Methyl 2-cyano-3-thiophenecarboxylate | C7H5NO2S

Methyl 2-cyano-3-thiophenecarboxylate

  • Molecular FormulaC7H5NO2S
  • Average mass167.185 Da
  • Monoisotopic mass167.004105 Da
  • ChemSpider ID27444850

More details:

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

2-Cyano-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-cyano-, methyl ester [ACD/Index Name]
Methyl 2-cyano-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-2-cyan-3-thiophencarboxylat [German] [ACD/IUPAC Name]
67808-30-4 [RN]
methyl 2-cyanothiophene-3-carboxylate
MFCD15732349 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 308.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.9±3.0 kJ/mol
    Flash Point: 140.1±23.7 °C
    Index of Refraction: 1.556
    Molar Refractivity: 40.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 7.10
    ACD/KOC (pH 5.5): 141.57
    ACD/LogD (pH 7.4): 1.42
    ACD/BCF (pH 7.4): 7.10
    ACD/KOC (pH 7.4): 141.57
    Polar Surface Area: 78 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 53.8±5.0 dyne/cm
    Molar Volume: 126.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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