ChemSpider 2D Image | 2-[(2-Aminophenyl)amino]-5-methyl-3-thiophenecarbonitrile | C12H11N3S

2-[(2-Aminophenyl)amino]-5-methyl-3-thiophenecarbonitrile

  • Molecular FormulaC12H11N3S
  • Average mass229.301 Da
  • Monoisotopic mass229.067368 Da
  • ChemSpider ID28189825

More details:

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

2-[(2-Aminophenyl)amino]-5-methyl-3-thiophencarbonitril [German] [ACD/IUPAC Name]
2-[(2-Aminophenyl)amino]-5-methyl-3-thiophenecarbonitrile [ACD/IUPAC Name]
2-[(2-Aminophényl)amino]-5-méthyl-3-thiophènecarbonitrile [French] [ACD/IUPAC Name]
2-[(2-AMINOPHENYL)AMINO]-5-METHYLTHIOPHENE-3-CARBONITRILE
3-Thiophenecarbonitrile, 2-[(2-aminophenyl)amino]-5-methyl- [ACD/Index Name]
873895-41-1 [RN]
2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile
2-(1,2-Phenylene-diamino)-5-methylthiophene-3-carbonitrile
2-(2-Aminoanilino)-5-methylthiophene-3-carbonitrile
MFCD20528182

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 406.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.8±3.0 kJ/mol
    Flash Point: 199.4±28.7 °C
    Index of Refraction: 1.668
    Molar Refractivity: 66.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 36.46
    ACD/KOC (pH 5.5): 447.38
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.16
    ACD/KOC (pH 7.4): 480.44
    Polar Surface Area: 90 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 65.5±5.0 dyne/cm
    Molar Volume: 177.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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