ChemSpider 2D Image | 1-(3-{[3-(Methylsulfonyl)cyclohexyl]sulfanyl}phenyl)ethanone | C15H20O3S2

1-(3-{[3-(Methylsulfonyl)cyclohexyl]sulfanyl}phenyl)ethanone

  • Molecular FormulaC15H20O3S2
  • Average mass312.448 Da
  • Monoisotopic mass312.085388 Da
  • ChemSpider ID35633473

More details:

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

1-(3-{[3-(Methylsulfonyl)cyclohexyl]sulfanyl}phenyl)ethanon [German] [ACD/IUPAC Name]
1-(3-{[3-(Methylsulfonyl)cyclohexyl]sulfanyl}phenyl)ethanone [ACD/IUPAC Name]
1-(3-{[3-(Méthylsulfonyl)cyclohexyl]sulfanyl}phényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-[[3-(methylsulfonyl)cyclohexyl]thio]phenyl]- [ACD/Index 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: 523.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.5±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 65.94
ACD/KOC (pH 5.5): 697.81
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 65.94
ACD/KOC (pH 7.4): 697.81
Polar Surface Area: 85 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 250.3±5.0 cm3

Click to predict properties on the Chemicalize site


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