ChemSpider 2D Image | 2,4-Dibromo-6-[(E)-({3-[(3-hydroxypropyl)sulfanyl]-5-(tetrahydro-2-furanyl)-4H-1,2,4-triazol-4-yl}imino)methyl]phenol | C16H18Br2N4O3S

2,4-Dibromo-6-[(E)-({3-[(3-hydroxypropyl)sulfanyl]-5-(tetrahydro-2-furanyl)-4H-1,2,4-triazol-4-yl}imino)methyl]phenol

  • Molecular FormulaC16H18Br2N4O3S
  • Average mass506.212 Da
  • Monoisotopic mass503.946625 Da
  • ChemSpider ID126528861

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4-Dibrom-6-[(E)-({3-[(3-hydroxypropyl)sulfanyl]-5-(tetrahydro-2-furanyl)-4H-1,2,4-triazol-4-yl}imino)methyl]phenol [German] [ACD/IUPAC Name]
2,4-Dibromo-6-[(E)-({3-[(3-hydroxypropyl)sulfanyl]-5-(tetrahydro-2-furanyl)-4H-1,2,4-triazol-4-yl}imino)methyl]phenol [ACD/IUPAC Name]
2,4-Dibromo-6-[(E)-({3-[(3-hydroxypropyl)sulfanyl]-5-(tétrahydro-2-furanyl)-4H-1,2,4-triazol-4-yl}imino)méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2,4-dibromo-6-[(E)-[[3-[(3-hydroxypropyl)thio]-5-(tetrahydro-2-furanyl)-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: 1.9±0.1 g/cm3
Boiling Point: 658.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.2±34.3 °C
Index of Refraction: 1.729
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 179.33
ACD/KOC (pH 5.5): 1133.86
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 27.17
Polar Surface Area: 118 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 270.2±7.0 cm3

Click to predict properties on the Chemicalize site


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