ChemSpider 2D Image | 3-(2-Furyl)-1H-isochromene-1-thione | C13H8O2S

3-(2-Furyl)-1H-isochromene-1-thione

  • Molecular FormulaC13H8O2S
  • Average mass228.266 Da
  • Monoisotopic mass228.024506 Da
  • ChemSpider ID25940750

More details:

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

1H-2-Benzopyran-1-thione, 3-(2-furanyl)- [ACD/Index Name]
3-(2-Furyl)-1H-isochromen-1-thion [German] [ACD/IUPAC Name]
3-(2-Furyl)-1H-isochromene-1-thione [ACD/IUPAC Name]
3-(2-Furyl)-1H-isochromène-1-thione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 351.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 166.4±30.7 °C
Index of Refraction: 1.695
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 370.24
ACD/KOC (pH 5.5): 2399.54
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 370.24
ACD/KOC (pH 7.4): 2399.54
Polar Surface Area: 54 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 167.4±5.0 cm3

Click to predict properties on the Chemicalize site


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