ChemSpider 2D Image | 2-{[3-(Isobutylsulfonyl)-1-azetidinyl]sulfonyl}benzonitrile | C14H18N2O4S2

2-{[3-(Isobutylsulfonyl)-1-azetidinyl]sulfonyl}benzonitrile

  • Molecular FormulaC14H18N2O4S2
  • Average mass342.434 Da
  • Monoisotopic mass342.070801 Da
  • ChemSpider ID30764242

More details:

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

2-{[3-(Isobutylsulfonyl)-1-azetidinyl]sulfonyl}benzonitril [German] [ACD/IUPAC Name]
2-{[3-(Isobutylsulfonyl)-1-azetidinyl]sulfonyl}benzonitrile [ACD/IUPAC Name]
2-{[3-(Isobutylsulfonyl)-1-azétidinyl]sulfonyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[3-[(2-methylpropyl)sulfonyl]-1-azetidinyl]sulfonyl]- [ACD/Index Name]
1797697-16-5 [RN]
2-((3-(isobutylsulfonyl)azetidin-1-yl)sulfonyl)benzonitrile
2-{[3-(2-methylpropanesulfonyl)azetidin-1-yl]sulfonyl}benzonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.37
ACD/KOC (pH 5.5): 145.34
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.37
ACD/KOC (pH 7.4): 145.34
Polar Surface Area: 112 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 242.6±5.0 cm3

Click to predict properties on the Chemicalize site


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