ChemSpider 2D Image | (2Z)-2-{[1-(3-Chloro-4-fluorophenyl)-3-(4-ethylphenyl)-1H-pyrazol-4-yl]methylene}hydrazinecarbothioamide | C19H17ClFN5S

(2Z)-2-{[1-(3-Chloro-4-fluorophenyl)-3-(4-ethylphenyl)-1H-pyrazol-4-yl]methylene}hydrazinecarbothioamide

  • Molecular FormulaC19H17ClFN5S
  • Average mass401.888 Da
  • Monoisotopic mass401.087708 Da
  • ChemSpider ID76012323

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[1-(3-Chlor-4-fluorphenyl)-3-(4-ethylphenyl)-1H-pyrazol-4-yl]methylen}hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2Z)-2-{[1-(3-Chloro-4-fluorophenyl)-3-(4-ethylphenyl)-1H-pyrazol-4-yl]methylene}hydrazinecarbothioamide [ACD/IUPAC Name]
(2Z)-2-{[1-(3-Chloro-4-fluorophényl)-3-(4-éthylphényl)-1H-pyrazol-4-yl]méthylène}hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[[1-(3-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-1H-pyrazol-4-yl]methylene]-, (2Z)- [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: 575.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.7±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3402.18
ACD/KOC (pH 5.5): 11738.82
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3400.81
ACD/KOC (pH 7.4): 11734.09
Polar Surface Area: 100 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 294.5±7.0 cm3

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