ChemSpider 2D Image | Methyl (4-methyl-2-nitrophenoxy)methyl cyanocarbonodithioimidate | C11H11N3O3S2

Methyl (4-methyl-2-nitrophenoxy)methyl cyanocarbonodithioimidate

  • Molecular FormulaC11H11N3O3S2
  • Average mass297.353 Da
  • Monoisotopic mass297.024170 Da
  • ChemSpider ID26470497

More details:

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

494763-18-7 [RN]
Carbonodithioimidic acid, N-cyano-, methyl (4-methyl-2-nitrophenoxy)methyl ester [ACD/Index Name]
Cyanocarbonodithioimidate de méthyle et de (4-méthyl-2-nitrophénoxy)méthyle [French] [ACD/IUPAC Name]
Methyl (4-methyl-2-nitrophenoxy)methyl cyanocarbonodithioimidate [ACD/IUPAC Name]
Methyl-(4-methyl-2-nitrophenoxy)methyl-cyancarbonodithioimidat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.0±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 78.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 328.89
ACD/KOC (pH 5.5): 2204.48
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 328.89
ACD/KOC (pH 7.4): 2204.48
Polar Surface Area: 142 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 221.9±7.0 cm3

Click to predict properties on the Chemicalize site


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