ChemSpider 2D Image | 1-(3,4-Dimethoxyphenyl)-2-(ethylsulfanyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide | C15H20N2O4S2

1-(3,4-Dimethoxyphenyl)-2-(ethylsulfanyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide

  • Molecular FormulaC15H20N2O4S2
  • Average mass356.460 Da
  • Monoisotopic mass356.086456 Da
  • ChemSpider ID21531421

More details:

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

1-(3,4-Dimethoxyphenyl)-2-(ethylsulfanyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-5,5-dioxid [German] [ACD/IUPAC Name]
1-(3,4-Dimethoxyphenyl)-2-(ethylsulfanyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide [ACD/IUPAC Name]
1H-Thieno[3,4-d]imidazole, 1-(3,4-dimethoxyphenyl)-2-(ethylthio)-3a,4,6,6a-tetrahydro-, 5,5-dioxide [ACD/Index Name]
5,5-Dioxyde de 1-(3,4-diméthoxyphényl)-2-(éthylsulfanyl)-3a,4,6,6a-tétrahydro-1H-thiéno[3,4-d]imidazole [French] [ACD/IUPAC Name]
3-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole 5,5-dioxide
919736-71-3 [RN]
AGN-PC-01KHSW
AIUJOXRMSJDLGH-UHFFFAOYSA-N
AO-022/43452546
MCULE-1105708774
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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: 587.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.7±3.0 kJ/mol
    Flash Point: 309.0±32.9 °C
    Index of Refraction: 1.649
    Molar Refractivity: 90.8±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 3.06
    ACD/KOC (pH 5.5): 50.00
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 13.63
    ACD/KOC (pH 7.4): 222.80
    Polar Surface Area: 102 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 52.0±7.0 dyne/cm
    Molar Volume: 249.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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