ChemSpider 2D Image | [5-Cyclohexyl-3-(isopropylsulfanyl)-1-benzofuran-2-yl]acetic acid | C19H24O3S

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

  • Molecular FormulaC19H24O3S
  • Average mass332.457 Da
  • Monoisotopic mass332.144623 Da
  • ChemSpider ID30657399

More details:

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

[5-Cyclohexyl-3-(isopropylsulfanyl)-1-benzofuran-2-yl]acetic acid [ACD/IUPAC Name]
[5-Cyclohexyl-3-(isopropylsulfanyl)-1-benzofuran-2-yl]essigsäure [German] [ACD/IUPAC Name]
2-Benzofuranacetic acid, 5-cyclohexyl-3-[(1-methylethyl)thio]- [ACD/Index Name]
Acide [5-cyclohexyl-3-(isopropylsulfanyl)-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: 1.2±0.1 g/cm3
Boiling Point: 495.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.3±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 28.99
ACD/KOC (pH 5.5): 83.69
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 4.29
Polar Surface Area: 76 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 276.0±5.0 cm3

Click to predict properties on the Chemicalize site


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