ChemSpider 2D Image | 3-({1-[Bis(4-methoxyphenyl)(phenyl)methoxy]ethyl}sulfanyl)-5-nitro-2(1H)-pyridinethione | C28H26N2O5S2

3-({1-[Bis(4-methoxyphenyl)(phenyl)methoxy]ethyl}sulfanyl)-5-nitro-2(1H)-pyridinethione

  • Molecular FormulaC28H26N2O5S2
  • Average mass534.646 Da
  • Monoisotopic mass534.128296 Da
  • ChemSpider ID2300133

More details:

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

2(1H)-Pyridinethione, 3-[[1-[bis(4-methoxyphenyl)phenylmethoxy]ethyl]thio]-5-nitro- [ACD/Index Name]
3-({1-[Bis(4-methoxyphenyl)(phenyl)methoxy]ethyl}sulfanyl)-5-nitro-2(1H)-pyridinethione [ACD/IUPAC Name]
3-({1-[Bis(4-méthoxyphényl)(phényl)méthoxy]éthyl}sulfanyl)-5-nitro-2(1H)-pyridinethione [French] [ACD/IUPAC Name]
3-({1-[Bis(4-methoxyphenyl)(phenyl)methoxy]ethyl}sulfanyl)-5-nitro-2(1H)-pyridinthion [German] [ACD/IUPAC Name]
131384-76-4 [RN]
4,4'-Dimethoxytrityloxy-S-(2-thio-5-nitropyridyl)-2-mercaptoethane
Dtnpme

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.3±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 32247.45
ACD/KOC (pH 5.5): 44818.70
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 1467.51
ACD/KOC (pH 7.4): 2039.60
Polar Surface Area: 143 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 395.8±5.0 cm3

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