ChemSpider 2D Image | 4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-5-methyl-1,3-dioxol-2-one | C12H9NO3S2

4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-5-methyl-1,3-dioxol-2-one

  • Molecular FormulaC12H9NO3S2
  • Average mass279.335 Da
  • Monoisotopic mass279.002380 Da
  • ChemSpider ID22752761

More details:

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

1,3-Dioxol-2-one, 4-[(2-benzothiazolylthio)methyl]-5-methyl- [ACD/Index Name]
4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-5-methyl-1,3-dioxol-2-on [German] [ACD/IUPAC Name]
4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-5-methyl-1,3-dioxol-2-one [ACD/IUPAC Name]
4-[(1,3-Benzothiazol-2-ylsulfanyl)méthyl]-5-méthyl-1,3-dioxol-2-one [French] [ACD/IUPAC Name]
1020242-03-8 [RN]
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-1,3-dioxol-2-one
4-(Benzothiazol-2-ylsulfanylmethyl)-5-methyl-[1,3]dioxol-2-one
4-[(1,3-benzothiazol-2-ylthio)methyl]-5-methyl-1,3-dioxol-2-one
5-(benzothiazol-2-ylthiomethyl)-4-methyl-1,3-dioxolen-2-one
c12h9no3s2
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 403.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±3.0 kJ/mol
    Flash Point: 197.6±31.5 °C
    Index of Refraction: 1.703
    Molar Refractivity: 72.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.32
    ACD/LogD (pH 5.5): 3.27
    ACD/BCF (pH 5.5): 179.76
    ACD/KOC (pH 5.5): 1430.62
    ACD/LogD (pH 7.4): 3.27
    ACD/BCF (pH 7.4): 179.77
    ACD/KOC (pH 7.4): 1430.63
    Polar Surface Area: 102 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 68.9±5.0 dyne/cm
    Molar Volume: 186.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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