ChemSpider 2D Image | 2-(Methylsulfonyl)-3-thiophenecarbonitrile | C6H5NO2S2

2-(Methylsulfonyl)-3-thiophenecarbonitrile

  • Molecular FormulaC6H5NO2S2
  • Average mass187.239 Da
  • Monoisotopic mass186.976166 Da
  • ChemSpider ID64965176

More details:

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

2-(Methylsulfonyl)-3-thiophencarbonitril [German] [ACD/IUPAC Name]
2-(Methylsulfonyl)-3-thiophenecarbonitrile [ACD/IUPAC Name]
2-(Méthylsulfonyl)-3-thiophènecarbonitrile [French] [ACD/IUPAC Name]
3-Thiophenecarbonitrile, 2-(methylsulfonyl)- [ACD/Index Name]
2172067-34-2 [RN]
2-methanesulfonylthiophene-3-carbonitrile
MFCD31615927

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

Density: 1.5±0.1 g/cm3
Boiling Point: 428.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.0±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 42.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.54
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 36.54
Polar Surface Area: 95 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 126.2±5.0 cm3

Click to predict properties on the Chemicalize site


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