ChemSpider 2D Image | 1-(3-Aminopropyl)-3-{3-[(5-bromo-2-pyridinyl)(4-chlorobenzyl)amino]propyl}thiourea | C19H25BrClN5S

1-(3-Aminopropyl)-3-{3-[(5-bromo-2-pyridinyl)(4-chlorobenzyl)amino]propyl}thiourea

  • Molecular FormulaC19H25BrClN5S
  • Average mass470.857 Da
  • Monoisotopic mass469.070251 Da
  • ChemSpider ID26371182

More details:

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

1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thiourea
1-(3-Aminopropyl)-3-{3-[(5-brom-2-pyridinyl)(4-chlorbenzyl)amino]propyl}thioharnstoff [German] [ACD/IUPAC Name]
1-(3-Aminopropyl)-3-{3-[(5-bromo-2-pyridinyl)(4-chlorobenzyl)amino]propyl}thiourea [ACD/IUPAC Name]
1-(3-Aminopropyl)-3-{3-[(5-bromo-2-pyridinyl)(4-chlorobenzyl)amino]propyl}thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(3-aminopropyl)-N'-[3-[(5-bromo-2-pyridinyl)[(4-chlorophenyl)methyl]amino]propyl]- [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: 599.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.3±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 22.86
Polar Surface Area: 98 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 334.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement