ChemSpider 2D Image | 1-(2-Chlorobenzyl)-3-{4-[(4-fluorophenyl)amino]-6-methyl-2-pyrimidinyl}thiourea | C19H17ClFN5S

1-(2-Chlorobenzyl)-3-{4-[(4-fluorophenyl)amino]-6-methyl-2-pyrimidinyl}thiourea

  • Molecular FormulaC19H17ClFN5S
  • Average mass401.888 Da
  • Monoisotopic mass401.087708 Da
  • ChemSpider ID80911068

More details:

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

1-(2-Chlorbenzyl)-3-{4-[(4-fluorphenyl)amino]-6-methyl-2-pyrimidinyl}thioharnstoff [German] [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-3-{4-[(4-fluorophenyl)amino]-6-methyl-2-pyrimidinyl}thiourea [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-3-{4-[(4-fluorophényl)amino]-6-méthyl-2-pyrimidinyl}thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[(2-chlorophenyl)methyl]-N'-[4-[(4-fluorophenyl)amino]-6-methyl-2-pyrimidinyl]- [ACD/Index 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: 584.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.5±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 828.04
ACD/KOC (pH 5.5): 4171.29
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 890.61
ACD/KOC (pH 7.4): 4486.54
Polar Surface Area: 94 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 284.8±3.0 cm3

Click to predict properties on the Chemicalize site


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