ChemSpider 2D Image | [5-Cyclohexyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid | C17H20O3S

[5-Cyclohexyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid

  • Molecular FormulaC17H20O3S
  • Average mass304.404 Da
  • Monoisotopic mass304.113312 Da
  • ChemSpider ID30656876

More details:

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

[5-Cyclohexyl-3-(methylsulfanyl)-1-benzofuran-2-yl]acetic acid [ACD/IUPAC Name]
[5-Cyclohexyl-3-(methylsulfanyl)-1-benzofuran-2-yl]essigsäure [German] [ACD/IUPAC Name]
2-Benzofuranacetic acid, 5-cyclohexyl-3-(methylthio)- [ACD/Index Name]
Acide [5-cyclohexyl-3-(méthylsulfanyl)-1-benzofuran-2-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 244.7±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 15.06
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.69
Polar Surface Area: 76 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 243.0±5.0 cm3

Click to predict properties on the Chemicalize site


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