ChemSpider 2D Image | 2-(Methylsulfonyl)(3-~2~H)-1H-pyrrole | C5H6DNO2S

2-(Methylsulfonyl)(3-2H)-1H-pyrrole

  • Molecular FormulaC5H6DNO2S
  • Average mass146.186 Da
  • Monoisotopic mass146.026031 Da
  • ChemSpider ID10540076

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrrole-3-d, 2-(methylsulfonyl)- [ACD/Index Name]
2-(Methylsulfonyl)(3-2H)-1H-pyrrol [German] [ACD/IUPAC Name]
2-(Methylsulfonyl)(3-2H)-1H-pyrrole [ACD/IUPAC Name]
2-(Méthylsulfonyl)(3-2H)-1H-pyrrole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 379.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 183.4±22.9 °C
Index of Refraction: 1.535
Molar Refractivity: 34.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.34
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.45
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.45
Polar Surface Area: 58 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 109.5±3.0 cm3

Click to predict properties on the Chemicalize site


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