ChemSpider 2D Image | 3-[(2Z)-4-(3,4-Dimethylphenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]-1-propanol | C21H21F3N2OS

3-[(2Z)-4-(3,4-Dimethylphenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]-1-propanol

  • Molecular FormulaC21H21F3N2OS
  • Average mass406.464 Da
  • Monoisotopic mass406.132660 Da
  • ChemSpider ID32041520

More details:

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

3(2H)-Thiazolepropanol, 4-(3,4-dimethylphenyl)-2-[[3-(trifluoromethyl)phenyl]imino]-, (2Z)- [ACD/Index Name]
3-[(2Z)-4-(3,4-Dimethylphenyl)-2-{[3-(trifluormethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]-1-propanol [German] [ACD/IUPAC Name]
3-[(2Z)-4-(3,4-Dimethylphenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]-1-propanol [ACD/IUPAC Name]
3-[(2Z)-4-(3,4-Diméthylphényl)-2-{[3-(trifluorométhyl)phényl]imino}-1,3-thiazol-3(2H)-yl]-1-propanol [French] [ACD/IUPAC Name]
3-(4-(3,4-dimethylphenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl)-1-propanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.9±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2542.23
ACD/KOC (pH 5.5): 9529.03
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2542.24
ACD/KOC (pH 7.4): 9529.04
Polar Surface Area: 61 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 324.6±7.0 cm3

Click to predict properties on the Chemicalize site


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