Found 139 results

Search term: MF = 'C_{13}H_{12}O_{4}S_{2}'
ChemSpider 2D Image | (4E)-2-(1,3-Dithiolan-2-ylidene)-5-(5-methyl-2-furyl)-3-oxo-4-pentenoic acid | C13H12O4S2

(4E)-2-(1,3-Dithiolan-2-ylidene)-5-(5-methyl-2-furyl)-3-oxo-4-pentenoic acid

  • Molecular FormulaC13H12O4S2
  • Average mass296.362 Da
  • Monoisotopic mass296.017700 Da
  • ChemSpider ID35471216

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-2-(1,3-Dithiolan-2-yliden)-5-(5-methyl-2-furyl)-3-oxo-4-pentensäure [German] [ACD/IUPAC Name]
(4E)-2-(1,3-Dithiolan-2-ylidene)-5-(5-methyl-2-furyl)-3-oxo-4-pentenoic acid [ACD/IUPAC Name]
4-Pentenoic acid, 2-(1,3-dithiolan-2-ylidene)-5-(5-methyl-2-furanyl)-3-oxo-, (4E)- [ACD/Index Name]
Acide (4E)-2-(1,3-dithiolan-2-ylidène)-5-(5-méthyl-2-furyl)-3-oxo-4-penténoïque [French] [ACD/IUPAC Name]
(E)-2-(1,3-dithiolan-2-ylidene)-5-(5-methylfuran-2-yl)-3-oxopent-4-enoic acid
1269596-63-5 [RN]
2-[1,3]Dithiolan-2-ylidene-5-(5-methyl-furan-2-yl)-3-oxo-pent-4-enoic acid
MFCD18447082

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 458.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.7±3.0 kJ/mol
    Flash Point: 231.1±28.7 °C
    Index of Refraction: 1.681
    Molar Refractivity: 77.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): -0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 66.8±3.0 dyne/cm
    Molar Volume: 205.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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