ChemSpider 2D Image | 2,5-Dihydro-3-thiophenecarbonitrile | C5H5NS

2,5-Dihydro-3-thiophenecarbonitrile

  • Molecular FormulaC5H5NS
  • Average mass111.165 Da
  • Monoisotopic mass111.014267 Da
  • ChemSpider ID30803815

More details:

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

2,5-Dihydro-3-thiophencarbonitril [German] [ACD/IUPAC Name]
2,5-Dihydro-3-thiophenecarbonitrile [ACD/IUPAC Name]
2,5-Dihydro-3-thiophènecarbonitrile [French] [ACD/IUPAC Name]
3-Thiophenecarbonitrile, 2,5-dihydro- [ACD/Index Name]
122131-76-4 [RN]
2,5-dihydrothiophene-3-carbonitrile
MFCD20483032

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

Density: 1.2±0.1 g/cm3
Boiling Point: 244.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 101.6±27.3 °C
Index of Refraction: 1.573
Molar Refractivity: 30.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.86
ACD/KOC (pH 5.5): 107.94
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.86
ACD/KOC (pH 7.4): 107.94
Polar Surface Area: 49 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 93.5±5.0 cm3

Click to predict properties on the Chemicalize site


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