ChemSpider 2D Image | (2S)-1-Fluoro-3-(propylsulfanyl)-2-propanol | C6H13FOS

(2S)-1-Fluoro-3-(propylsulfanyl)-2-propanol

  • Molecular FormulaC6H13FOS
  • Average mass152.230 Da
  • Monoisotopic mass152.067108 Da
  • ChemSpider ID97476336

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Fluor-3-(propylsulfanyl)-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-Fluoro-3-(propylsulfanyl)-2-propanol [ACD/IUPAC Name]
(2S)-1-Fluoro-3-(propylsulfanyl)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-fluoro-3-(propylthio)-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 242.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 100.6±23.2 °C
Index of Refraction: 1.458
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.40
ACD/KOC (pH 5.5): 131.38
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.40
ACD/KOC (pH 7.4): 131.38
Polar Surface Area: 46 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 144.9±3.0 cm3

Click to predict properties on the Chemicalize site


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