ChemSpider 2D Image | 6,6'-(1,2-Ethanediyldisulfanediyl)bis(5-cyano-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid) | C16H10N4O6S2

6,6'-(1,2-Ethanediyldisulfanediyl)bis(5-cyano-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid)

  • Molecular FormulaC16H10N4O6S2
  • Average mass418.404 Da
  • Monoisotopic mass418.004181 Da
  • ChemSpider ID21672786

More details:

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

3-Pyridinecarboxylic acid, 6,6'-[1,2-ethanediylbis(thio)]bis[5-cyano-1,2-dihydro-2-oxo- [ACD/Index Name]
6,6'-(1,2-Ethandiyldisulfandiyl)bis(5-cyan-2-oxo-1,2-dihydro-3-pyridincarbonsäure) [German] [ACD/IUPAC Name]
6,6'-(1,2-Ethanediyldisulfanediyl)bis(5-cyano-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid) [ACD/IUPAC Name]
Acide 6,6'-(1,2-éthanediyldisulfanediyl)bis(5-cyano-2-oxo-1,2-dihydro-3-pyridinecarboxylique) [French] [ACD/IUPAC Name]
6-({2-[(5-carboxy-3-cyano-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]ethyl}sulfanyl)-5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid
6,6'-(ethane-1,2-diyldisulfanediyl)bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)

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

Density: 1.7±0.1 g/cm3
Boiling Point: 607.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 321.1±31.5 °C
Index of Refraction: 1.743
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -5.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 108.8±5.0 dyne/cm
Molar Volume: 239.9±5.0 cm3

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