ChemSpider 2D Image | 2-(4-(methylsulfinyl)butyl)isoindoline-1,3-dione | C13H15NO3S

2-(4-(methylsulfinyl)butyl)isoindoline-1,3-dione

  • Molecular FormulaC13H15NO3S
  • Average mass265.328 Da
  • Monoisotopic mass265.077271 Da
  • ChemSpider ID21112214

More details:

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

(±)-2-[4-(Methylsulfinyl)butyl]-1H-Isoindole1,3-(2H)-dione
163956-72-7 [RN]
1H-Isoindole-1,3(2H)-dione, 2-[4-(methylsulfinyl)butyl]- [ACD/Index Name]
2-(4-(methylsulfinyl)butyl)isoindoline-1,3-dione
2-[4-(Methylsulfinyl)butyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[4-(Methylsulfinyl)butyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[4-(Méthylsulfinyl)butyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
[163956-72-7] [RN]
2-(4-METHANESULFINYLBUTYL)ISOINDOLE-1,3-DIONE
2-(4-methylsulfinylbutyl)isoindole-1,3-dione
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.3±0.1 g/cm3
Boiling Point: 485.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.4±24.0 °C
Index of Refraction: 1.617
Molar Refractivity: 69.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.10
ACD/KOC (pH 5.5): 111.72
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 111.72
Polar Surface Area: 74 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 199.2±3.0 cm3

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