ChemSpider 2D Image | (4Z)-4-[(2,4-Difluorophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide | C11H9F2N5OS

(4Z)-4-[(2,4-Difluorophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

  • Molecular FormulaC11H9F2N5OS
  • Average mass297.284 Da
  • Monoisotopic mass297.049591 Da
  • ChemSpider ID30657138

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-[(2,4-Difluorophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide [ACD/IUPAC Name]
(4Z)-4-[(2,4-Difluorophényl)hydrazono]-3-méthyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide [French] [ACD/IUPAC Name]
(4Z)-4-[(2,4-Difluorphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-carbothioamid [German] [ACD/IUPAC Name]
1H-Pyrazole-1-carbothioamide, 4-[2-(2,4-difluorophenyl)hydrazinylidene]-4,5-dihydro-3-methyl-5-oxo-, (4Z)- [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: 388.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 188.7±30.7 °C
Index of Refraction: 1.691
Molar Refractivity: 70.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 71.69
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 39.11
Polar Surface Area: 115 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 185.3±7.0 cm3

Click to predict properties on the Chemicalize site


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