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Search term: ZQMLMIJNKUCTJM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Butyl-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C15H18N4S

3-Butyl-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC15H18N4S
  • Average mass286.395 Da
  • Monoisotopic mass286.125214 Da
  • ChemSpider ID21748805

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-butyl-6-(2-phenylethyl)- [ACD/Index Name]
3-Butyl-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-Butyl-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-Butyl-6-(2-phényléthyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
3-butyl-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
947831-86-9 [RN]
AGN-PC-063JDR
AKOS005716128
AO-365/43400917
MCULE-1242759594
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.669
    Molar Refractivity: 84.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.31
    ACD/LogD (pH 5.5): 3.98
    ACD/BCF (pH 5.5): 626.91
    ACD/KOC (pH 5.5): 3498.14
    ACD/LogD (pH 7.4): 3.98
    ACD/BCF (pH 7.4): 626.92
    ACD/KOC (pH 7.4): 3498.21
    Polar Surface Area: 71 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 50.2±7.0 dyne/cm
    Molar Volume: 227.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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