ChemSpider 2D Image | (2Z)-3-Anilino-1-(2-fluoro-5-methylphenyl)-3-(methylsulfanyl)-2-(1H-1,2,4-triazol-1-yl)-2-propen-1-one | C19H17FN4OS

(2Z)-3-Anilino-1-(2-fluoro-5-methylphenyl)-3-(methylsulfanyl)-2-(1H-1,2,4-triazol-1-yl)-2-propen-1-one

  • Molecular FormulaC19H17FN4OS
  • Average mass368.428 Da
  • Monoisotopic mass368.110718 Da
  • ChemSpider ID21173794

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-Anilino-1-(2-fluor-5-methylphenyl)-3-(methylsulfanyl)-2-(1H-1,2,4-triazol-1-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-3-Anilino-1-(2-fluoro-5-methylphenyl)-3-(methylsulfanyl)-2-(1H-1,2,4-triazol-1-yl)-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-Anilino-1-(2-fluoro-5-méthylphényl)-3-(méthylsulfanyl)-2-(1H-1,2,4-triazol-1-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2-fluoro-5-methylphenyl)-3-(methylthio)-3-(phenylamino)-2-(1H-1,2,4-triazol-1-yl)-, (2Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 103.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.80
ACD/KOC (pH 5.5): 1526.39
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.80
ACD/KOC (pH 7.4): 1526.41
Polar Surface Area: 85 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 290.7±7.0 cm3

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