ChemSpider 2D Image | 2-({1-[3-Fluoro-4-(methylsulfanyl)phenyl]ethyl}amino)-1,3-propanediol | C12H18FNO2S

2-({1-[3-Fluoro-4-(methylsulfanyl)phenyl]ethyl}amino)-1,3-propanediol

  • Molecular FormulaC12H18FNO2S
  • Average mass259.340 Da
  • Monoisotopic mass259.104218 Da
  • ChemSpider ID30125438

More details:

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

1,3-Propanediol, 2-[[1-[3-fluoro-4-(methylthio)phenyl]ethyl]amino]- [ACD/Index Name]
2-({1-[3-Fluor-4-(methylsulfanyl)phenyl]ethyl}amino)-1,3-propandiol [German] [ACD/IUPAC Name]
2-({1-[3-Fluoro-4-(methylsulfanyl)phenyl]ethyl}amino)-1,3-propanediol [ACD/IUPAC Name]
2-({1-[3-Fluoro-4-(méthylsulfanyl)phényl]éthyl}amino)-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 427.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.4±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 5.86
ACD/KOC (pH 7.4): 103.29
Polar Surface Area: 78 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 211.0±5.0 cm3

Click to predict properties on the Chemicalize site


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