Found 2 results

Search term: VQVLDNVJTMFMNL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(Z)-(5-Bromo-2-hydroxybenzylidene)amino]-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione | C10H9BrN4OS

4-[(Z)-(5-Bromo-2-hydroxybenzylidene)amino]-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC10H9BrN4OS
  • Average mass313.174 Da
  • Monoisotopic mass311.968048 Da
  • ChemSpider ID32117054

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-1,2,4-Triazole-3-thione, 4-[[(1Z)-(5-bromo-2-hydroxyphenyl)methylene]amino]-2,4-dihydro-5-methyl- [ACD/Index Name]
4-[(Z)-(5-Brom-2-hydroxybenzyliden)amino]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-[(Z)-(5-Bromo-2-hydroxybenzylidene)amino]-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-[(Z)-(5-Bromo-2-hydroxybenzylidène)amino]-5-méthyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 496.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 254.3±31.5 °C
Index of Refraction: 1.739
Molar Refractivity: 72.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 5.54
ACD/KOC (pH 5.5): 52.52
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.24
Polar Surface Area: 102 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 179.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement