ChemSpider 2D Image | 3-[(2Z)-2-[(4-Chlorophenyl)imino]-4-[4-(2-methyl-2-propanyl)phenyl]-1,3-thiazol-3(2H)-yl]-1-propanol | C22H25ClN2OS

3-[(2Z)-2-[(4-Chlorophenyl)imino]-4-[4-(2-methyl-2-propanyl)phenyl]-1,3-thiazol-3(2H)-yl]-1-propanol

  • Molecular FormulaC22H25ClN2OS
  • Average mass400.965 Da
  • Monoisotopic mass400.137604 Da
  • ChemSpider ID21856091
  • Double-bond stereo - Double-bond stereo


More details:






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

3(2H)-Thiazolepropanol, 2-[(4-chlorophenyl)imino]-4-[4-(1,1-dimethylethyl)phenyl]-, (2Z)- [ACD/Index Name]
3-[(2Z)-2-[(4-Chlorophenyl)imino]-4-[4-(2-methyl-2-propanyl)phenyl]-1,3-thiazol-3(2H)-yl]-1-propanol [ACD/IUPAC Name]
3-[(2Z)-2-[(4-Chlorophényl)imino]-4-[4-(2-méthyl-2-propanyl)phényl]-1,3-thiazol-3(2H)-yl]-1-propanol [French] [ACD/IUPAC Name]
3-[(2Z)-2-[(4-Chlorphenyl)imino]-4-[4-(2-methyl-2-propanyl)phenyl]-1,3-thiazol-3(2H)-yl]-1-propanol [German] [ACD/IUPAC Name]
3-[(2Z)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)imino]-1,3-thiazol-3(2H)-yl]propan-1-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 555.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.6±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6194.83
ACD/KOC (pH 5.5): 18027.09
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6194.86
ACD/KOC (pH 7.4): 18027.17
Polar Surface Area: 61 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 340.4±7.0 cm3

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