ChemSpider 2D Image | 1-[1-(2-Chlorophenyl)-2-oxocyclohexyl]-3-ethyl-1-methylthiourea | C16H21ClN2OS

1-[1-(2-Chlorophenyl)-2-oxocyclohexyl]-3-ethyl-1-methylthiourea

  • Molecular FormulaC16H21ClN2OS
  • Average mass324.869 Da
  • Monoisotopic mass324.106323 Da
  • ChemSpider ID22042468

More details:

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

1-[1-(2-Chlorophenyl)-2-oxocyclohexyl]-3-ethyl-1-methylthiourea [ACD/IUPAC Name]
1-[1-(2-Chlorophényl)-2-oxocyclohexyl]-3-éthyl-1-méthylthiourée [French] [ACD/IUPAC Name]
1-[1-(2-Chlorphenyl)-2-oxocyclohexyl]-3-ethyl-1-methylthioharnstoff [German] [ACD/IUPAC Name]
Thiourea, N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N'-ethyl-N-methyl- [ACD/Index 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: 446.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 223.8±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.79
ACD/KOC (pH 5.5): 704.23
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.79
ACD/KOC (pH 7.4): 704.25
Polar Surface Area: 64 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 263.0±5.0 cm3

Click to predict properties on the Chemicalize site


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