ChemSpider 2D Image | 4-(2-Pyridinyl)-1,3-dithiol-2-one | C8H5NOS2

4-(2-Pyridinyl)-1,3-dithiol-2-one

  • Molecular FormulaC8H5NOS2
  • Average mass195.261 Da
  • Monoisotopic mass194.981247 Da
  • ChemSpider ID26944665

More details:

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

1,3-Dithiol-2-one, 4-(2-pyridinyl)- [ACD/Index Name]
4-(2-Pyridinyl)-1,3-dithiol-2-on [German] [ACD/IUPAC Name]
4-(2-Pyridinyl)-1,3-dithiol-2-one [ACD/IUPAC Name]
4-(2-Pyridinyl)-1,3-dithiol-2-one [French] [ACD/IUPAC Name]
199986-51-1 [RN]
4-(pyridin-2-yl)-1,3-dithiol-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 395.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.1±30.7 °C
Index of Refraction: 1.719
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.48
ACD/KOC (pH 5.5): 186.13
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.65
ACD/KOC (pH 7.4): 189.20
Polar Surface Area: 81 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 132.9±3.0 cm3

Click to predict properties on the Chemicalize site


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