ChemSpider 2D Image | Benzyl 2-[(4-bromophenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexene-1-carbodithioate | C22H22BrNOS2

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

  • Molecular FormulaC22H22BrNOS2
  • Average mass460.450 Da
  • Monoisotopic mass459.032623 Da
  • ChemSpider ID24741801

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-, phenylmethyl ester [ACD/Index Name]
2-[(4-Bromophényl)amino]-4,4-diméthyl-6-oxo-1-cyclohexène-1-carbodithioate de benzyle [French] [ACD/IUPAC Name]
Benzyl 2-[(4-bromophenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexene-1-carbodithioate [ACD/IUPAC Name]
Benzyl-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: 1.4±0.1 g/cm3
Boiling Point: 548.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.7±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27788.54
ACD/KOC (pH 5.5): 52784.16
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27788.54
ACD/KOC (pH 7.4): 52784.16
Polar Surface Area: 86 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 325.6±3.0 cm3

Click to predict properties on the Chemicalize site


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