ChemSpider 2D Image | Undecyl 2-[(4-bromophenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexene-1-carbodithioate | C26H38BrNOS2

Undecyl 2-[(4-bromophenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexene-1-carbodithioate

  • Molecular FormulaC26H38BrNOS2
  • Average mass524.620 Da
  • Monoisotopic mass523.157837 Da
  • ChemSpider ID24741803

More details:

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

1-Cyclohexene-1-carbodithioic acid, 2-[(4-bromophenyl)amino]-4,4-dimethyl-6-oxo-, undecyl ester [ACD/Index Name]
2-[(4-Bromophényl)amino]-4,4-diméthyl-6-oxo-1-cyclohexène-1-carbodithioate d'undécyle [French] [ACD/IUPAC Name]
Undecyl 2-[(4-bromophenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexene-1-carbodithioate [ACD/IUPAC Name]
Undecyl-2-[(4-bromphenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexen-1-carbodithioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.0±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.27
ACD/LogD (pH 5.5): 9.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6008488.00
ACD/LogD (pH 7.4): 9.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6008488.00
Polar Surface Area: 86 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 429.9±3.0 cm3

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