ChemSpider 2D Image | 3-(Methylsulfanyl)-2,5-diphenyl-1-benzofuran | C21H16OS

3-(Methylsulfanyl)-2,5-diphenyl-1-benzofuran

  • Molecular FormulaC21H16OS
  • Average mass316.416 Da
  • Monoisotopic mass316.092194 Da
  • ChemSpider ID21126090

More details:

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

3-(Methylsulfanyl)-2,5-diphenyl-1-benzofuran [ACD/IUPAC Name]
3-(Methylsulfanyl)-2,5-diphenyl-1-benzofuran [German] [ACD/IUPAC Name]
3-(Méthylsulfanyl)-2,5-diphényl-1-benzofurane [French] [ACD/IUPAC Name]
Benzofuran, 3-(methylthio)-2,5-diphenyl- [ACD/Index Name]
3-(Methylthio)-2,5-diphenylbenzofuran
925886-01-7 [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: 493.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 252.2±25.4 °C
Index of Refraction: 1.701
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 43037.99
ACD/KOC (pH 5.5): 72192.79
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 43037.99
ACD/KOC (pH 7.4): 72192.79
Polar Surface Area: 38 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 255.4±5.0 cm3

Click to predict properties on the Chemicalize site


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