ChemSpider 2D Image | 1-[4-(2-Chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]ethanone | C13H13ClN2OS

1-[4-(2-Chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]ethanone

  • Molecular FormulaC13H13ClN2OS
  • Average mass280.773 Da
  • Monoisotopic mass280.043701 Da
  • ChemSpider ID27610103

More details:

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

1-[4-(2-Chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]ethanone [ACD/IUPAC Name]
1-[4-(2-Chlorophényl)-6-méthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinyl]éthanone [French] [ACD/IUPAC Name]
1-[4-(2-Chlorphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-(2-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 398.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.5±30.7 °C
Index of Refraction: 1.648
Molar Refractivity: 75.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.42
ACD/KOC (pH 5.5): 372.37
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.41
ACD/KOC (pH 7.4): 372.28
Polar Surface Area: 73 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 208.6±5.0 cm3

Click to predict properties on the Chemicalize site


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