ChemSpider 2D Image | 1-(2-Chlorobenzyl)-3-[4-(4-morpholinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thiourea | C17H17ClF3N5OS

1-(2-Chlorobenzyl)-3-[4-(4-morpholinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thiourea

  • Molecular FormulaC17H17ClF3N5OS
  • Average mass431.863 Da
  • Monoisotopic mass431.079437 Da
  • ChemSpider ID80926805

More details:

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

1-(2-Chlorbenzyl)-3-[4-(4-morpholinyl)-6-(trifluormethyl)-2-pyrimidinyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-3-[4-(4-morpholinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thiourea [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-3-[4-(4-morpholinyl)-6-(trifluorométhyl)-2-pyrimidinyl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[(2-chlorophenyl)methyl]-N'-[4-(4-morpholinyl)-6-(trifluoromethyl)-2-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 578.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.9±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 441.46
ACD/KOC (pH 5.5): 2721.35
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.00
ACD/KOC (pH 7.4): 2681.54
Polar Surface Area: 94 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 295.1±3.0 cm3

Click to predict properties on the Chemicalize site


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