ChemSpider 2D Image | (E)-1-{5-[(3-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]methanimine | C16H11Cl2F3N4OS2

(E)-1-{5-[(3-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]methanimine

  • Molecular FormulaC16H11Cl2F3N4OS2
  • Average mass467.316 Da
  • Monoisotopic mass465.970337 Da
  • ChemSpider ID30657300

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-{5-[(3-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]methanimine [ACD/IUPAC Name]
(E)-1-{5-[(3-Chlorophényl)sulfanyl]-1-méthyl-3-(trifluorométhyl)-1H-pyrazol-4-yl}-N-[(2-chloro-1,3-thiazol-5-yl)méthoxy]méthanimine [French] [ACD/IUPAC Name]
(E)-1-{5-[(3-Chlorphenyl)sulfanyl]-1-methyl-3-(trifluormethyl)-1H-pyrazol-4-yl}-N-[(2-chlor-1,3-thiazol-5-yl)methoxy]methanimin [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxaldehyde, 5-[(3-chlorophenyl)thio]-1-methyl-3-(trifluoromethyl)-, O-[(2-chloro-5-thiazolyl)methyl]oxime [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: 571.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 299.6±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4998.82
ACD/KOC (pH 5.5): 15461.12
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4998.89
ACD/KOC (pH 7.4): 15461.31
Polar Surface Area: 106 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 296.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement