ChemSpider 2D Image | 2-Fluoro-6-{[4-hydroxy-1-(methylsulfanyl)-2-butanyl]amino}benzonitrile | C12H15FN2OS

2-Fluoro-6-{[4-hydroxy-1-(methylsulfanyl)-2-butanyl]amino}benzonitrile

  • Molecular FormulaC12H15FN2OS
  • Average mass254.324 Da
  • Monoisotopic mass254.088913 Da
  • ChemSpider ID30469940

More details:

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

2-Fluor-6-{[4-hydroxy-1-(methylsulfanyl)-2-butanyl]amino}benzonitril [German] [ACD/IUPAC Name]
2-Fluoro-6-{[4-hydroxy-1-(methylsulfanyl)-2-butanyl]amino}benzonitrile [ACD/IUPAC Name]
2-Fluoro-6-{[4-hydroxy-1-(méthylsulfanyl)-2-butanyl]amino}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-fluoro-6-[[3-hydroxy-1-[(methylthio)methyl]propyl]amino]- [ACD/Index Name]
2-FLUORO-6-{[4-HYDROXY-1-(METHYLSULFANYL)BUTAN-2-YL]AMINO}BENZONITRILE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.3±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.47
ACD/KOC (pH 5.5): 247.14
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.47
ACD/KOC (pH 7.4): 247.17
Polar Surface Area: 81 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 206.6±5.0 cm3

Click to predict properties on the Chemicalize site


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