ChemSpider 2D Image | {[3-(Trifluoromethoxy)benzyl]sulfanyl}acetic acid | C10H9F3O3S

{[3-(Trifluoromethoxy)benzyl]sulfanyl}acetic acid

  • Molecular FormulaC10H9F3O3S
  • Average mass266.237 Da
  • Monoisotopic mass266.022461 Da
  • ChemSpider ID24600314

More details:

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

{[3-(Trifluormethoxy)benzyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
{[3-(Trifluoromethoxy)benzyl]sulfanyl}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[[3-(trifluoromethoxy)phenyl]methyl]thio]- [ACD/Index Name]
Acide {[3-(trifluorométhoxy)benzyl]sulfanyl}acétique [French] [ACD/IUPAC Name]
(3-Trifluoromethoxy-benzylsulfanyl)-acetic acid
2-((3-(trifluoromethoxy)benzyl)thio)acetic acid
2-({[3-(trifluoromethoxy)phenyl]methyl}sulfanyl)acetic acid
2-[[3-(trifluoromethoxy)phenyl]methylsulfanyl]acetic acid
901418-29-9 [RN]
AGN-PC-07CWP8
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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: 325.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.9±3.0 kJ/mol
    Flash Point: 150.6±27.9 °C
    Index of Refraction: 1.521
    Molar Refractivity: 57.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 1.19
    ACD/BCF (pH 5.5): 1.78
    ACD/KOC (pH 5.5): 16.44
    ACD/LogD (pH 7.4): -0.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 72 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 41.5±3.0 dyne/cm
    Molar Volume: 187.7±3.0 cm3

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