ChemSpider 2D Image | (2E)-2-(2-Chloro-6-fluorobenzylidene)-N-(3-fluoro-4-methylphenyl)hydrazinecarbothioamide | C15H12ClF2N3S

(2E)-2-(2-Chloro-6-fluorobenzylidene)-N-(3-fluoro-4-methylphenyl)hydrazinecarbothioamide

  • Molecular FormulaC15H12ClF2N3S
  • Average mass339.791 Da
  • Monoisotopic mass339.040863 Da
  • ChemSpider ID68397632

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-Chlor-6-fluorbenzyliden)-N-(3-fluor-4-methylphenyl)hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2E)-2-(2-Chloro-6-fluorobenzylidene)-N-(3-fluoro-4-methylphenyl)hydrazinecarbothioamide [ACD/IUPAC Name]
(2E)-2-(2-Chloro-6-fluorobenzylidène)-N-(3-fluoro-4-méthylphényl)hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[(2-chloro-6-fluorophenyl)methylene]-N-(3-fluoro-4-methylphenyl)-, (2E)- [ACD/Index Name]
1-[(E)-[(2-CHLORO-6-FLUOROPHENYL)METHYLIDENE]AMINO]-3-(3-FLUORO-4-METHYLPHENYL)THIOUREA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 424.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.4±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3235.71
ACD/KOC (pH 5.5): 11323.90
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3165.71
ACD/KOC (pH 7.4): 11078.92
Polar Surface Area: 69 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 254.1±7.0 cm3

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