ChemSpider 2D Image | 4-(4-Thiomorpholinylmethyl)benzoic acid | C12H15NO2S

4-(4-Thiomorpholinylmethyl)benzoic acid

  • Molecular FormulaC12H15NO2S
  • Average mass237.318 Da
  • Monoisotopic mass237.082352 Da
  • ChemSpider ID21744015

More details:

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

4-(4-Thiomorpholinylmethyl)benzoesäure [German] [ACD/IUPAC Name]
4-(4-Thiomorpholinylmethyl)benzoic acid [ACD/IUPAC Name]
4-(Thiomorpholin-4-ylmethyl)benzoic acid
4-[(Thiomorpholin-4-yl)methyl]benzoic acid
414892-27-6 [RN]
Acide 4-(4-thiomorpholinylméthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-thiomorpholinylmethyl)- [ACD/Index Name]
MFCD00976996 [MDL number]
[414892-27-6] [RN]
4-(thiomorpholin-4-ylmethyl)benzoicacid
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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: 402.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 197.1±28.7 °C
    Index of Refraction: 1.623
    Molar Refractivity: 66.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): -0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.01
    ACD/LogD (pH 7.4): -0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 187.8±3.0 cm3

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