Found 156 results

Search term: MF = 'C_{6}H_{4}N_{2}O_{2}S'
ChemSpider 2D Image | Methyl 2-cyano-5-thiazolecarboxylate | C6H4N2O2S

Methyl 2-cyano-5-thiazolecarboxylate

  • Molecular FormulaC6H4N2O2S
  • Average mass168.173 Da
  • Monoisotopic mass167.999344 Da
  • ChemSpider ID34066241

More details:

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

1211541-45-5 [RN]
2-Cyano-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-cyano-, methyl ester [ACD/Index Name]
Methyl 2-cyano-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl 2-cyano-5-thiazolecarboxylate
Methyl 2-cyanothiazole-5-carboxylate
Methyl-2-cyan-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
MFCD20275277

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 288.9±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 128.5±25.1 °C
    Index of Refraction: 1.558
    Molar Refractivity: 38.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.57
    ACD/LogD (pH 5.5): 0.43
    ACD/BCF (pH 5.5): 1.25
    ACD/KOC (pH 5.5): 40.86
    ACD/LogD (pH 7.4): 0.43
    ACD/BCF (pH 7.4): 1.25
    ACD/KOC (pH 7.4): 40.86
    Polar Surface Area: 91 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 64.4±5.0 dyne/cm
    Molar Volume: 119.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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