ChemSpider 2D Image | 4-[(2-{[2-(Methylsulfonyl)ethyl]sulfinyl}ethyl)sulfonyl]benzonitrile | C12H15NO5S3

4-[(2-{[2-(Methylsulfonyl)ethyl]sulfinyl}ethyl)sulfonyl]benzonitrile

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID41435499

More details:

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

4-[(2-{[2-(Methylsulfonyl)ethyl]sulfinyl}ethyl)sulfonyl]benzonitril [German] [ACD/IUPAC Name]
4-[(2-{[2-(Methylsulfonyl)ethyl]sulfinyl}ethyl)sulfonyl]benzonitrile [ACD/IUPAC Name]
4-[(2-{[2-(Méthylsulfonyl)éthyl]sulfinyl}éthyl)sulfonyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[2-[[2-(methylsulfonyl)ethyl]sulfinyl]ethyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 737.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.6±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.34
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.34
Polar Surface Area: 145 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 231.5±5.0 cm3

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