ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C14H8N4O2S2

3-(1,3-Benzodioxol-5-yl)-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC14H8N4O2S2
  • Average mass328.369 Da
  • Monoisotopic mass328.008881 Da
  • ChemSpider ID21758450

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-(1,3-benzodioxol-5-yl)-6-(2-thienyl)- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-6-(2-thiényl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
3-(1,3-benzodioxol-5-yl)-6-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(1,3-benzodioxol-5-yl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-Benzo[1,3]dioxol-5-yl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
951992-71-5 [RN]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.915
    Molar Refractivity: 85.8±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 105.05
    ACD/KOC (pH 5.5): 973.90
    ACD/LogD (pH 7.4): 2.96
    ACD/BCF (pH 7.4): 105.05
    ACD/KOC (pH 7.4): 973.90
    Polar Surface Area: 118 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 83.7±7.0 dyne/cm
    Molar Volume: 182.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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