ChemSpider 2D Image | 4-[4-(1,3-Benzothiazol-2-yl)-1-piperidinyl]tetrahydro-3-thiopheneol 1,1-dioxide | C16H20N2O3S2

4-[4-(1,3-Benzothiazol-2-yl)-1-piperidinyl]tetrahydro-3-thiopheneol 1,1-dioxide

  • Molecular FormulaC16H20N2O3S2
  • Average mass352.472 Da
  • Monoisotopic mass352.091522 Da
  • ChemSpider ID21758016

More details:

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

1,1-Dioxyde de 4-[4-(1,3-benzothiazol-2-yl)-1-pipéridinyl]tétrahydro-3-thiophèneol [French] [ACD/IUPAC Name]
3-Thiopheneol, 4-[4-(2-benzothiazolyl)-1-piperidinyl]tetrahydro-, 1,1-dioxide [ACD/Index Name]
4-[4-(1,3-Benzothiazol-2-yl)-1-piperidinyl]tetrahydro-3-thiopheneol 1,1-dioxide [ACD/IUPAC Name]
4-[4-(1,3-Benzothiazol-2-yl)-1-piperidinyl]tetrahydro-3-thiophenol-1,1-dioxid [German] [ACD/IUPAC Name]
4-(4-Benzothiazol-2-yl-piperidin-1-yl)-1,1-dioxo-tetrahydro-1λ*6*-thiophen-3-ol
4-(4-benzothiazol-2-ylpiperidyl)-1,3-dihydroxythiolan-1-one
4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]tetrahydro-3-thiophenol 1,1-dioxide
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]tetrahydrothiophene-3-ol 1,1-dioxide
951936-68-8 [RN]
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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: 599.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.9±3.0 kJ/mol
    Flash Point: 316.4±30.1 °C
    Index of Refraction: 1.677
    Molar Refractivity: 92.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.42
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 3.13
    ACD/KOC (pH 5.5): 65.25
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 5.99
    ACD/KOC (pH 7.4): 124.94
    Polar Surface Area: 107 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 70.2±3.0 dyne/cm
    Molar Volume: 244.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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