ChemSpider 2D Image | 6-(2-Fluorophenyl)-3-isobutyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C13H13FN4S

6-(2-Fluorophenyl)-3-isobutyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC13H13FN4S
  • Average mass276.332 Da
  • Monoisotopic mass276.084503 Da
  • ChemSpider ID21687099

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-fluorophenyl)-3-(2-methylpropyl)- [ACD/Index Name]
6-(2-Fluorophenyl)-3-isobutyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
6-(2-Fluorophényl)-3-isobutyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
6-(2-Fluorphenyl)-3-isobutyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
6-(2-fluorophenyl)-3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
947832-42-0 [RN]
AGN-PC-04S2JR
AO-365/43400827
MCULE-4354135668
MolPort-005-981-644
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.689
    Molar Refractivity: 75.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.75
    ACD/LogD (pH 5.5): 3.06
    ACD/BCF (pH 5.5): 125.57
    ACD/KOC (pH 5.5): 1106.59
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 125.57
    ACD/KOC (pH 7.4): 1106.60
    Polar Surface Area: 71 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 48.5±7.0 dyne/cm
    Molar Volume: 197.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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