ChemSpider 2D Image | 2-Hydroxyethyl 2-[(2,4-dichlorophenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexene-1-carbodithioate | C17H19Cl2NO2S2

2-Hydroxyethyl 2-[(2,4-dichlorophenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexene-1-carbodithioate

  • Molecular FormulaC17H19Cl2NO2S2
  • Average mass404.374 Da
  • Monoisotopic mass403.023438 Da
  • ChemSpider ID24741805

More details:

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

1-Cyclohexene-1-carbodithioic acid, 2-[(2,4-dichlorophenyl)amino]-4,4-dimethyl-6-oxo-, 2-hydroxyethyl ester [ACD/Index Name]
2-[(2,4-Dichlorophényl)amino]-4,4-diméthyl-6-oxo-1-cyclohexène-1-carbodithioate de 2-hydroxyéthyle [French] [ACD/IUPAC Name]
2-Hydroxyethyl 2-[(2,4-dichlorophenyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexene-1-carbodithioate [ACD/IUPAC Name]
2-Hydroxyethyl-2-[(2,4-dichlorphenyl)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: 522.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.7±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1314.86
ACD/KOC (pH 5.5): 5944.21
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1314.86
ACD/KOC (pH 7.4): 5944.20
Polar Surface Area: 107 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 286.6±3.0 cm3

Click to predict properties on the Chemicalize site


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