ChemSpider 2D Image | MFCD03221346 | C15H10BrFN4S

MFCD03221346

  • Molecular FormulaC15H10BrFN4S
  • Average mass377.234 Da
  • Monoisotopic mass375.979340 Da
  • ChemSpider ID21493429

  • 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, 5-(2-bromophenyl)-4-[[(1E)-(2-fluorophenyl)methylene]amino]-2,4-dihydro- [ACD/Index Name]
5-(2-Bromophenyl)-4-[(E)-(2-fluorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(2-Bromophényl)-4-[(E)-(2-fluorobenzylidène)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-(2-Bromphenyl)-4-[(E)-(2-fluorbenzyliden)amino]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
MFCD03221346
5-(2-BROMOPHENYL)-4-((2-FLUOROBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL

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

Density: 1.6±0.1 g/cm3
Boiling Point: 533.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 151.88
ACD/KOC (pH 5.5): 812.96
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 4.90
ACD/KOC (pH 7.4): 26.21
Polar Surface Area: 82 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 237.6±7.0 cm3

Click to predict properties on the Chemicalize site


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