ChemSpider 2D Image | 1-(4-Chloro-6-methoxy-3-pyridazinyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]thiourea | C13H9Cl2F3N4OS

1-(4-Chloro-6-methoxy-3-pyridazinyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]thiourea

  • Molecular FormulaC13H9Cl2F3N4OS
  • Average mass397.203 Da
  • Monoisotopic mass395.982635 Da
  • ChemSpider ID60473657

More details:

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

1-(4-Chlor-6-methoxy-3-pyridazinyl)-3-[4-chlor-3-(trifluormethyl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(4-Chloro-6-methoxy-3-pyridazinyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]thiourea [ACD/IUPAC Name]
1-(4-Chloro-6-méthoxy-3-pyridazinyl)-3-[4-chloro-3-(trifluorométhyl)phényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(4-chloro-6-methoxy-3-pyridazinyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 495.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.6±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1366.45
ACD/KOC (pH 5.5): 6109.67
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1360.00
ACD/KOC (pH 7.4): 6080.82
Polar Surface Area: 91 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 245.6±3.0 cm3

Click to predict properties on the Chemicalize site


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