ChemSpider 2D Image | 2-{[1-(3,4-Dimethoxyphenyl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]sulfanyl}-N,N-dimethylacetamide | C17H23N3O5S2

2-{[1-(3,4-Dimethoxyphenyl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]sulfanyl}-N,N-dimethylacetamide

  • Molecular FormulaC17H23N3O5S2
  • Average mass413.512 Da
  • Monoisotopic mass413.107910 Da
  • ChemSpider ID21532875

More details:

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

2-{[1-(3,4-Dimethoxyphenyl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]sulfanyl}-N,N-dimethylacetamid [German] [ACD/IUPAC Name]
2-{[1-(3,4-Dimethoxyphenyl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]sulfanyl}-N,N-dimethylacetamide [ACD/IUPAC Name]
2-{[1-(3,4-Diméthoxyphényl)-5,5-dioxydo-3a,4,6,6a-tétrahydro-1H-thiéno[3,4-d]imidazol-2-yl]sulfanyl}-N,N-diméthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[1-(3,4-dimethoxyphenyl)-3a,4,6,6a-tetrahydro-5,5-dioxido-1H-thieno[3,4-d]imidazol-2-yl]thio]-N,N-dimethyl- [ACD/Index Name]
2-[[3-(3,4-dimethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
919720-47-1 [RN]
AGN-PC-01KIVO
MCULE-4805510712
MolPort-002-676-891
MolPort-006-820-874
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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: 651.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.9±3.0 kJ/mol
    Flash Point: 347.5±34.3 °C
    Index of Refraction: 1.646
    Molar Refractivity: 104.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: -0.26
    ACD/LogD (pH 5.5): 0.57
    ACD/BCF (pH 5.5): 1.50
    ACD/KOC (pH 5.5): 42.70
    ACD/LogD (pH 7.4): 0.70
    ACD/BCF (pH 7.4): 2.00
    ACD/KOC (pH 7.4): 57.00
    Polar Surface Area: 122 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 53.1±7.0 dyne/cm
    Molar Volume: 288.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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