ChemSpider 2D Image | S-Benzyl (4-methylphenyl)(oxo)ethanethioate | C16H14O2S

S-Benzyl (4-methylphenyl)(oxo)ethanethioate

  • Molecular FormulaC16H14O2S
  • Average mass270.346 Da
  • Monoisotopic mass270.071442 Da
  • ChemSpider ID77006121

More details:

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

(4-Méthylphényl)(oxo)éthanethioate de S-benzyle [French] [ACD/IUPAC Name]
Benzeneethanethioic acid, 4-methyl-α-oxo-, S-(phenylmethyl) ester [ACD/Index Name]
S-Benzyl (4-methylphenyl)(oxo)ethanethioate [ACD/IUPAC Name]
S-Benzyl-(4-methylphenyl)(oxo)ethanthioat [German] [ACD/IUPAC Name]
2362047-94-5 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 387.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 162.4±16.0 °C
    Index of Refraction: 1.611
    Molar Refractivity: 78.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.09
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 428.69
    ACD/KOC (pH 5.5): 2664.97
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 428.69
    ACD/KOC (pH 7.4): 2664.97
    Polar Surface Area: 59 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 49.3±3.0 dyne/cm
    Molar Volume: 225.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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