ChemSpider 2D Image | (2E)-2-{[1-(2-Fluorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(3-methylphenyl)hydrazinecarbothioamide | C20H19FN4S

(2E)-2-{[1-(2-Fluorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(3-methylphenyl)hydrazinecarbothioamide

  • Molecular FormulaC20H19FN4S
  • Average mass366.455 Da
  • Monoisotopic mass366.131439 Da
  • ChemSpider ID23016930

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[1-(2-Fluorbenzyl)-1H-pyrrol-2-yl]methylen}-N-(3-methylphenyl)hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2E)-2-{[1-(2-Fluorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(3-methylphenyl)hydrazinecarbothioamide [ACD/IUPAC Name]
(2E)-2-{[1-(2-Fluorobenzyl)-1H-pyrrol-2-yl]méthylène}-N-(3-méthylphényl)hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[[1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl]methylene]-N-(3-methylphenyl)-, (2E)- [ACD/Index Name]
2-{(E)-1-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]methylidene}-N-(3-methylphenyl)-1-hydrazinecarbothioamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 503.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.5±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 107.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4308.23
ACD/KOC (pH 5.5): 13900.20
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4300.00
ACD/KOC (pH 7.4): 13873.64
Polar Surface Area: 73 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 304.6±7.0 cm3

Click to predict properties on the Chemicalize site


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