ChemSpider 2D Image | 2-Thiiranecarbonitrile | C3H3NS

2-Thiiranecarbonitrile

  • Molecular FormulaC3H3NS
  • Average mass85.128 Da
  • Monoisotopic mass84.998619 Da
  • ChemSpider ID57447748

More details:

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

2-Thiirancarbonitril [German] [ACD/IUPAC Name]
2-Thiiranecarbonitrile [ACD/Index Name] [ACD/IUPAC Name]
2-Thiiranecarbonitrile [French] [ACD/Index Name] [ACD/IUPAC Name]
32998-80-4 [RN]
Thiirane-2-carbonitrile
THIIRANECARBONITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 234.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.1±3.0 kJ/mol
Flash Point: 95.5±25.4 °C
Index of Refraction: 1.562
Molar Refractivity: 21.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.72
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.72
Polar Surface Area: 49 Å2
Polarizability: 8.6±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 67.2±5.0 cm3

Click to predict properties on the Chemicalize site


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