ChemSpider 2D Image | (3E)-1-(1,3-Dithiepan-2-ylidene)-4-phenyl-3-buten-2-one | C15H16OS2

(3E)-1-(1,3-Dithiepan-2-ylidene)-4-phenyl-3-buten-2-one

  • Molecular FormulaC15H16OS2
  • Average mass276.417 Da
  • Monoisotopic mass276.064270 Da
  • ChemSpider ID24783280

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1-(1,3-Dithiepan-2-yliden)-4-phenyl-3-buten-2-on [German] [ACD/IUPAC Name]
(3E)-1-(1,3-Dithiepan-2-ylidene)-4-phenyl-3-buten-2-one [ACD/IUPAC Name]
(3E)-1-(1,3-Dithiépan-2-ylidène)-4-phényl-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 1-(1,3-dithiepan-2-ylidene)-4-phenyl-, (3E)- [ACD/Index Name]
(E)-1-(1,3-dithiepan-2-ylidene)-4-phenylbut-3-en-2-one
1215312-23-4 [RN]
MFCD01096987

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 441.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.9±3.0 kJ/mol
    Flash Point: 191.3±18.8 °C
    Index of Refraction: 1.696
    Molar Refractivity: 85.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.04
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 939.89
    ACD/KOC (pH 5.5): 4674.42
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 939.89
    ACD/KOC (pH 7.4): 4674.42
    Polar Surface Area: 68 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 58.5±3.0 dyne/cm
    Molar Volume: 222.8±3.0 cm3

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