ChemSpider 2D Image | 1-{2-(Benzylsulfanyl)-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone | C18H19N5OS

1-{2-(Benzylsulfanyl)-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone

  • Molecular FormulaC18H19N5OS
  • Average mass353.441 Da
  • Monoisotopic mass353.131042 Da
  • ChemSpider ID26457739

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[2-(benzylsulfanyl)-7-[(1E)-2-(dimethylamino)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-{2-(Benzylsulfanyl)-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanon [German] [ACD/IUPAC Name]
1-{2-(Benzylsulfanyl)-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone [ACD/IUPAC Name]
1-{2-(Benzylsulfanyl)-7-[(E)-2-(diméthylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}éthanone [French] [ACD/IUPAC Name]
1306753-48-9 [RN]
Ethanone, 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-[(phenylmethyl)thio][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]- [ACD/Index Name]
1-(2-(Benzylthio)-7-(2-(dimethylamino)vinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
1-(2-(Benzylthio)-7-[(e)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
1-[2-Benzylsulfanyl-7-(2-dimethylamino-vinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-ethanone
1-[2-benzylsulfanyl-7-[(E)-2-(dimethylamino)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
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    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: 1.652
    Molar Refractivity: 103.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): 2.32
    ACD/BCF (pH 5.5): 26.08
    ACD/KOC (pH 5.5): 262.56
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 76.66
    ACD/KOC (pH 7.4): 771.64
    Polar Surface Area: 89 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 49.0±7.0 dyne/cm
    Molar Volume: 281.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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