ChemSpider 2D Image | 2-[(E)-{[3-(4-Methylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol | C19H20N4OS

2-[(E)-{[3-(4-Methylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol

  • Molecular FormulaC19H20N4OS
  • Average mass352.453 Da
  • Monoisotopic mass352.135773 Da
  • ChemSpider ID30656917

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-{[3-(4-Methylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol [German] [ACD/IUPAC Name]
2-[(E)-{[3-(4-Methylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol [ACD/IUPAC Name]
2-[(E)-{[3-(4-Méthylphényl)-5-(propylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2-[(E)-[[3-(4-methylphenyl)-5-(propylthio)-4H-1,2,4-triazol-4-yl]imino]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 295.6±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 994.02
ACD/KOC (pH 5.5): 4851.00
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 549.52
ACD/KOC (pH 7.4): 2681.78
Polar Surface Area: 89 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 287.8±7.0 cm3

Click to predict properties on the Chemicalize site


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