ChemSpider 2D Image | 3-({(2E)-2-[4-(4-Pyridinyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl}sulfanyl)propanenitrile | C14H10N2S5

3-({(2E)-2-[4-(4-Pyridinyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl}sulfanyl)propanenitrile

  • Molecular FormulaC14H10N2S5
  • Average mass366.568 Da
  • Monoisotopic mass365.944763 Da
  • ChemSpider ID30656723

  • Double-bond stereo - Double-bond stereo

More details:

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

3-({(2E)-2-[4-(4-Pyridinyl)-1,3-dithiol-2-yliden]-1,3-dithiol-4-yl}sulfanyl)propannitril [German] [ACD/IUPAC Name]
3-({(2E)-2-[4-(4-Pyridinyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl}sulfanyl)propanenitrile [ACD/IUPAC Name]
3-({(2E)-2-[4-(4-Pyridinyl)-1,3-dithiol-2-ylidène]-1,3-dithiol-4-yl}sulfanyl)propanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-[[(2E)-2-[4-(4-pyridinyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 511.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.3±30.1 °C
Index of Refraction: 1.801
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 375.07
ACD/KOC (pH 5.5): 1798.54
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1044.19
ACD/KOC (pH 7.4): 5007.09
Polar Surface Area: 163 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 236.0±5.0 cm3

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