ChemSpider 2D Image | 1-(2-Thienyl)-4-(3-thienyl)-1,4-butandion | C12H10O2S2

1-(2-Thienyl)-4-(3-thienyl)-1,4-butandion

  • Molecular FormulaC12H10O2S2
  • Average mass250.337 Da
  • Monoisotopic mass250.012222 Da
  • ChemSpider ID21470368

More details:

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

1-(2-Thienyl)-4-(3-thienyl)-1,4-butandion
1-(2-Thienyl)-4-(3-thienyl)-1,4-butandion [German] [ACD/IUPAC Name]
1-(2-Thienyl)-4-(3-thienyl)-1,4-butanedione [ACD/IUPAC Name]
1-(2-Thiényl)-4-(3-thiényl)-1,4-butanedione [French] [ACD/IUPAC Name]
1,4-Butanedione, 1-(2-thienyl)-4-(3-thienyl)- [ACD/Index Name]
1-(Thiophen-2-yl)-4-(thiophen-3-yl)butane-1,4-dione
1-thiophen-2-yl-4-thiophen-3-ylbutane-1,4-dione
89814-55-1 [RN]
atoms 16 bonds 17
MFCD12547016

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 431.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.7±3.0 kJ/mol
    Flash Point: 214.5±24.6 °C
    Index of Refraction: 1.617
    Molar Refractivity: 67.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 69.74
    ACD/KOC (pH 5.5): 726.43
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 69.74
    ACD/KOC (pH 7.4): 726.43
    Polar Surface Area: 91 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 53.0±3.0 dyne/cm
    Molar Volume: 192.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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