ChemSpider 2D Image | (3Z)-6-Fluoro-3-(3-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one | C16H11FO2S

(3Z)-6-Fluoro-3-(3-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one

  • Molecular FormulaC16H11FO2S
  • Average mass286.321 Da
  • Monoisotopic mass286.046387 Da
  • ChemSpider ID70645919

More details:

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

(3Z)-6-Fluor-3-(3-hydroxybenzyliden)-2,3-dihydro-4H-thiochromen-4-on [German] [ACD/IUPAC Name]
(3Z)-6-Fluoro-3-(3-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one [ACD/IUPAC Name]
(3Z)-6-Fluoro-3-(3-hydroxybenzylidène)-2,3-dihydro-4H-thiochromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzothiopyran-4-one, 6-fluoro-2,3-dihydro-3-[(3-hydroxyphenyl)methylene]-, (3Z)- [ACD/Index 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: 507.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 260.9±30.1 °C
Index of Refraction: 1.711
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 541.84
ACD/KOC (pH 5.5): 3151.29
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 535.54
ACD/KOC (pH 7.4): 3114.65
Polar Surface Area: 63 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

Click to predict properties on the Chemicalize site


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