ChemSpider 2D Image | 3-(4-Fluorobenzyl)-1H-isochromene-1-thione | C16H11FOS

3-(4-Fluorobenzyl)-1H-isochromene-1-thione

  • Molecular FormulaC16H11FOS
  • Average mass270.321 Da
  • Monoisotopic mass270.051453 Da
  • ChemSpider ID24741703

More details:

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

1H-2-Benzopyran-1-thione, 3-[(4-fluorophenyl)methyl]- [ACD/Index Name]
3-(4-Fluorbenzyl)-1H-isochromen-1-thion [German] [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-1H-isochromene-1-thione [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-1H-isochromène-1-thione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 391.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 190.8±30.7 °C
Index of Refraction: 1.666
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1597.98
ACD/KOC (pH 5.5): 6834.64
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1597.98
ACD/KOC (pH 7.4): 6834.64
Polar Surface Area: 41 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 206.0±5.0 cm3

Click to predict properties on the Chemicalize site


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