Found 2 results

Search term: MF = 'C_{16}H_{11}Cl_{2}F_{3}N_{4}OS_{2}'
ChemSpider 2D Image | (E)-1-{5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]methanimine | C16H11Cl2F3N4OS2

(E)-1-{5-[(4-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 ID31122495

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-{5-[(4-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-[(4-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-[(4-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-[(4-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: 574.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 301.2±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: 6.78
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6280.03
ACD/KOC (pH 5.5): 18204.19
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6280.11
ACD/KOC (pH 7.4): 18204.41
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


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