ChemSpider 2D Image | 2-(Benzylsulfanyl)-1-(3,4-difluorophenyl)ethanone | C15H12F2OS

2-(Benzylsulfanyl)-1-(3,4-difluorophenyl)ethanone

  • Molecular FormulaC15H12F2OS
  • Average mass278.317 Da
  • Monoisotopic mass278.057678 Da
  • ChemSpider ID32846969

More details:

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

2-(Benzylsulfanyl)-1-(3,4-difluorophenyl)ethanone [ACD/IUPAC Name]
2-(Benzylsulfanyl)-1-(3,4-difluorophényl)éthanone [French] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-1-(3,4-difluorphenyl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-(3,4-difluorophenyl)-2-[(phenylmethyl)thio]- [ACD/Index Name]
2-(benzylsulfanyl)-1-(3,4-difluorophenyl)ethan-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 398.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.5±26.5 °C
Index of Refraction: 1.580
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1030.33
ACD/KOC (pH 5.5): 4992.16
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1030.33
ACD/KOC (pH 7.4): 4992.16
Polar Surface Area: 42 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 220.6±3.0 cm3

Click to predict properties on the Chemicalize site


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