ChemSpider 2D Image | 2,4-Dibromo-6-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol | C9H6Br2N4OS

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

  • Molecular FormulaC9H6Br2N4OS
  • Average mass378.043 Da
  • Monoisotopic mass375.862885 Da
  • ChemSpider ID35313337

More details:

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

2,4-Dibrom-6-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol [German] [ACD/IUPAC Name]
2,4-Dibromo-6-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol [ACD/IUPAC Name]
2,4-Dibromo-6-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]méthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 2,4-dibromo-6-[[(3-mercapto-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: 2.1±0.1 g/cm3
Boiling Point: 485.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 247.5±31.5 °C
Index of Refraction: 1.798
Molar Refractivity: 75.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 21.44
ACD/KOC (pH 5.5): 149.79
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 176.5±7.0 cm3

Click to predict properties on the Chemicalize site


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