ChemSpider 2D Image | 3-Thietanecarboxylic acid 1,1-dioxide | C4H6O4S

3-Thietanecarboxylic acid 1,1-dioxide

  • Molecular FormulaC4H6O4S
  • Average mass150.153 Da
  • Monoisotopic mass149.998672 Da
  • ChemSpider ID22252428

More details:

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

13129-21-0 [RN]
3-Thietancarbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
3-Thietanecarboxylic acid 1,1-dioxide [ACD/IUPAC Name]
3-Thietanecarboxylic acid, 1,1-dioxide [ACD/Index Name]
Acide 1,1-dioxyde de -3-thiétanecarboxylique [French] [ACD/IUPAC Name]
Thietane-3-carboxylic acid 1,1-dioxide
[13129-21-0] [RN]
1,1-DIOXO-1??-THIETANE-3-CARBOXYLIC ACID
1,1-dioxo-1λ6-thietane-3-carboxylic acid
1,1-dioxothietane-3-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 485.0±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 82.2±6.0 kJ/mol
    Flash Point: 247.1±26.8 °C
    Index of Refraction: 1.558
    Molar Refractivity: 29.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.74
    ACD/LogD (pH 5.5): -3.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 11.5±0.5 10-24cm3
    Surface Tension: 70.7±3.0 dyne/cm
    Molar Volume: 89.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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