ChemSpider 2D Image | 1,3-dibutyl-5-(1,3-dithian-2-ylidene)-1,3-diazinane-2,4,6-trione | C16H24N2O3S2

1,3-dibutyl-5-(1,3-dithian-2-ylidene)-1,3-diazinane-2,4,6-trione

  • Molecular FormulaC16H24N2O3S2
  • Average mass356.503 Da
  • Monoisotopic mass356.122833 Da
  • ChemSpider ID28425081

More details:

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

1,3-Dibutyl-5-(1,3-dithian-2-yliden)-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
1,3-dibutyl-5-(1,3-dithian-2-ylidene)-1,3-diazinane-2,4,6-trione
1,3-Dibutyl-5-(1,3-dithian-2-ylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
1,3-Dibutyl-5-(1,3-dithian-2-ylidène)-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
1313712-22-9 [RN]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dibutyl-5-(1,3-dithian-2-ylidene)- [ACD/Index Name]
1,3-Dibutyl-5-[1,3]dithian-2-ylidene-pyrimidine-2,4,6-trione
1,3-Dibutyl-5-1,3dithian-2-ylidene-pyrimidine-2,4,6-trione

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 430.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.6±3.0 kJ/mol
    Flash Point: 214.1±31.5 °C
    Index of Refraction: 1.579
    Molar Refractivity: 95.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 125.74
    ACD/KOC (pH 5.5): 1107.65
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 125.74
    ACD/KOC (pH 7.4): 1107.65
    Polar Surface Area: 108 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 287.6±3.0 cm3

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