ChemSpider 2D Image | Bis{1-[(2,4-dinitrophenyl)amino]-2-sulfanylethyl}dithioperoxyanhydride | C18H16N6O10S4

Bis{1-[(2,4-dinitrophenyl)amino]-2-sulfanylethyl}dithioperoxyanhydride

  • Molecular FormulaC18H16N6O10S4
  • Average mass604.614 Da
  • Monoisotopic mass603.981079 Da
  • ChemSpider ID19983011

More details:

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

Bis{1-[(2,4-dinitrophenyl)amino]-2-sulfanylethyl}dithioperoxyanhydrid [German] [ACD/IUPAC Name]
Bis{1-[(2,4-dinitrophenyl)amino]-2-sulfanylethyl}dithioperoxyanhydride [ACD/IUPAC Name]
Bis{1-[(2,4-dinitrophényl)amino]-2-sulfanyléthyl}dithioperoxyanhydride [French] [ACD/IUPAC Name]
133694-79-8 [RN]
2,4-dinitrophenylcysteinyl disulfide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 859.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 473.6±37.1 °C
Index of Refraction: 1.764
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8248.42
ACD/KOC (pH 5.5): 22122.60
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7785.78
ACD/KOC (pH 7.4): 20881.78
Polar Surface Area: 370 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 90.6±3.0 dyne/cm
Molar Volume: 353.7±3.0 cm3

Click to predict properties on the Chemicalize site


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