ChemSpider 2D Image | 5-[(1,3-Benzothiazol-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione | C14H12N2O4S

5-[(1,3-Benzothiazol-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione

  • Molecular FormulaC14H12N2O4S
  • Average mass304.321 Da
  • Monoisotopic mass304.051788 Da
  • ChemSpider ID17920087

More details:

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

1,3-Dioxane-4,6-dione, 5-[(2-benzothiazolylamino)methylene]-2,2-dimethyl- [ACD/Index Name]
5-[(1,3-Benzothiazol-2-ylamino)methylen]-2,2-dimethyl-1,3-dioxan-4,6-dion [German] [ACD/IUPAC Name]
5-[(1,3-Benzothiazol-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione [ACD/IUPAC Name]
5-[(1,3-Benzothiazol-2-ylamino)méthylène]-2,2-diméthyl-1,3-dioxane-4,6-dione [French] [ACD/IUPAC Name]
5-((benzo[d]thiazol-2-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
5-(Benzothiazol-2-ylaminomethylene)-2,2-dimethyl-[1,3]dioxane-4,6-dione
5-[(1,3-benzothiazol-2-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
5-{[(1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
919014-75-8 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 540.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.8±3.0 kJ/mol
    Flash Point: 280.7±32.9 °C
    Index of Refraction: 1.738
    Molar Refractivity: 81.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.99
    ACD/LogD (pH 5.5): 1.73
    ACD/BCF (pH 5.5): 12.16
    ACD/KOC (pH 5.5): 208.12
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 12.17
    ACD/KOC (pH 7.4): 208.15
    Polar Surface Area: 106 Å2
    Polarizability: 32.1±0.5 10-24cm3
    Surface Tension: 78.6±3.0 dyne/cm
    Molar Volume: 201.3±3.0 cm3

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