ChemSpider 2D Image | 2-[2-(Benzylsulfanyl)acetoxy]-5-methoxybenzoic acid | C17H16O5S

2-[2-(Benzylsulfanyl)acetoxy]-5-methoxybenzoic acid

  • Molecular FormulaC17H16O5S
  • Average mass332.371 Da
  • Monoisotopic mass332.071838 Da
  • ChemSpider ID21835981

More details:

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

2-[2-(Benzylsulfanyl)acetoxy]-5-methoxybenzoesäure [German] [ACD/IUPAC Name]
2-[2-(Benzylsulfanyl)acetoxy]-5-methoxybenzoic acid [ACD/IUPAC Name]
Acide 2-[2-(benzylsulfanyl)acétoxy]-5-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-methoxy-2-[[2-[(phenylmethyl)thio]acetyl]oxy]- [ACD/Index Name]
2-(2-(benzylthio)acetoxy)-5-methoxybenzoic acid
2-(2-Benzylsulfanyl-acetoxy)-5-methoxy-benzoic acid
2-(2-benzylsulfanylacetyl)oxy-5-methoxybenzoic acid
2-{[(benzylsulfanyl)acetyl]oxy}-5-methoxybenzoic acid
933010-80-1 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 517.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 266.9±30.1 °C
    Index of Refraction: 1.610
    Molar Refractivity: 88.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.81
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 2.35
    ACD/KOC (pH 5.5): 12.41
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.97
    Polar Surface Area: 98 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 254.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement