ChemSpider 2D Image | 5-(Methylsulfonyl)-2-thiophenecarbonitrile | C6H5NO2S2

5-(Methylsulfonyl)-2-thiophenecarbonitrile

  • Molecular FormulaC6H5NO2S2
  • Average mass187.239 Da
  • Monoisotopic mass186.976166 Da
  • ChemSpider ID58182762

More details:

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

2-Thiophenecarbonitrile, 5-(methylsulfonyl)- [ACD/Index Name]
5-(Methylsulfonyl)-2-thiophencarbonitril [German] [ACD/IUPAC Name]
5-(Methylsulfonyl)-2-thiophenecarbonitrile [ACD/IUPAC Name]
5-(Méthylsulfonyl)-2-thiophènecarbonitrile [French] [ACD/IUPAC Name]
5-methanesulfonylthiophene-2-carbonitrile
859794-80-2 [RN]
MFCD29762809

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

Density: 1.5±0.1 g/cm3
Boiling Point: 396.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 193.8±27.9 °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: 0.25
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 40.98
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 40.98
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


Advertisement