ChemSpider 2D Image | (5S)-2-[(2-Chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxy-2-cyclohexen-1-one | C18H13Cl3O2S

(5S)-2-[(2-Chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxy-2-cyclohexen-1-one

  • Molecular FormulaC18H13Cl3O2S
  • Average mass399.719 Da
  • Monoisotopic mass397.970184 Da
  • ChemSpider ID35035067

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-2-[(2-Chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxy-2-cyclohexen-1-one [ACD/IUPAC Name]
(5S)-2-[(2-Chlorophényl)sulfanyl]-5-(2,6-dichlorophényl)-3-hydroxy-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
(5s)-2-[(2-Chlorophenyl)sulfanyl]-5-(2,6-Dichlorophenyl)-3-Hydroxycyclohex-2-En-1-One
(5S)-2-[(2-Chlorphenyl)sulfanyl]-5-(2,6-dichlorphenyl)-3-hydroxy-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2-[(2-chlorophenyl)thio]-5-(2,6-dichlorophenyl)-3-hydroxy-, (5S)- [ACD/Index Name]
36U

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

Density: 1.5±0.1 g/cm3
Boiling Point: 491.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.9±28.7 °C
Index of Refraction: 1.687
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 67.47
ACD/KOC (pH 5.5): 160.57
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 11.37
Polar Surface Area: 63 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 264.5±5.0 cm3

Click to predict properties on the Chemicalize site


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