ChemSpider 2D Image | 1-[3-(Isobutylsulfonyl)-1-azetidinyl]-3-(phenylsulfanyl)-1-propanone | C16H23NO3S2

1-[3-(Isobutylsulfonyl)-1-azetidinyl]-3-(phenylsulfanyl)-1-propanone

  • Molecular FormulaC16H23NO3S2
  • Average mass341.489 Da
  • Monoisotopic mass341.111938 Da
  • ChemSpider ID30764097

More details:

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

1-[3-(Isobutylsulfonyl)-1-azetidinyl]-3-(phenylsulfanyl)-1-propanon [German] [ACD/IUPAC Name]
1-[3-(Isobutylsulfonyl)-1-azetidinyl]-3-(phenylsulfanyl)-1-propanone [ACD/IUPAC Name]
1-[3-(Isobutylsulfonyl)-1-azétidinyl]-3-(phénylsulfanyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-[(2-methylpropyl)sulfonyl]-1-azetidinyl]-3-(phenylthio)- [ACD/Index Name]
1-(3-(isobutylsulfonyl)azetidin-1-yl)-3-(phenylthio)propan-1-one
1-[3-(2-methylpropanesulfonyl)azetidin-1-yl]-3-(phenylsulfanyl)propan-1-one
1797017-92-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.40
ACD/KOC (pH 5.5): 400.90
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.40
ACD/KOC (pH 7.4): 400.90
Polar Surface Area: 88 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 273.4±5.0 cm3

Click to predict properties on the Chemicalize site


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