ChemSpider 2D Image | 1-[2-(Methylsulfanyl)phenyl]-3-phenyl-1-propanone | C16H16OS

1-[2-(Methylsulfanyl)phenyl]-3-phenyl-1-propanone

  • Molecular FormulaC16H16OS
  • Average mass256.363 Da
  • Monoisotopic mass256.092194 Da
  • ChemSpider ID21400300

More details:






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

1-[2-(Methylsulfanyl)phenyl]-3-phenyl-1-propanon [German] [ACD/IUPAC Name]
1-[2-(Methylsulfanyl)phenyl]-3-phenyl-1-propanone [ACD/IUPAC Name]
1-[2-(Méthylsulfanyl)phényl]-3-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[2-(methylthio)phenyl]-3-phenyl- [ACD/Index Name]
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
1-[2-(Methylsulfanyl)phenyl]-3-phenylpropan-1-one
3-phenyl-2'-thiomethylpropiophenone
3-phenyl-2-thiomethylpropiophenone
898764-18-6 [RN]
MFCD03842924 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 408.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 221.9±12.5 °C
Index of Refraction: 1.606
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2019.58
ACD/KOC (pH 5.5): 8081.69
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2019.58
ACD/KOC (pH 7.4): 8081.69
Polar Surface Area: 42 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 226.6±5.0 cm3

Click to predict properties on the Chemicalize site






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