ChemSpider 2D Image | 3-Sulfanylacrylonitrile | C3H3NS

3-Sulfanylacrylonitrile

  • Molecular FormulaC3H3NS
  • Average mass85.128 Da
  • Monoisotopic mass84.998619 Da
  • ChemSpider ID57543557

More details:

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

2-Propenenitrile, 3-mercapto- [ACD/Index Name]
3-Sulfanylacrylonitril [German] [ACD/IUPAC Name]
3-Sulfanylacrylonitrile [ACD/IUPAC Name]
3-Sulfanylacrylonitrile [French] [ACD/IUPAC Name]
3-Sulfanylprop-2-enenitrile
64263-55-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 166.5±32.0 °C at 760 mmHg
Vapour Pressure: 1.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.3±3.0 kJ/mol
Flash Point: 54.5±25.1 °C
Index of Refraction: 1.514
Molar Refractivity: 23.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.74
ACD/KOC (pH 5.5): 87.37
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.63
Polar Surface Area: 63 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 79.1±3.0 cm3

Click to predict properties on the Chemicalize site


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