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Search term: VLJIPDZUVTZJIE-PJQLUOCWSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(Z)-(3-Bromobenzylidene)amino]-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C10H6BrF3N4S

4-[(Z)-(3-Bromobenzylidene)amino]-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC10H6BrF3N4S
  • Average mass351.146 Da
  • Monoisotopic mass349.944855 Da
  • ChemSpider ID32119754

  • 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)-(3-bromophenyl)methylene]amino]-2,4-dihydro-5-(trifluoromethyl)- [ACD/Index Name]
4-[(Z)-(3-Brombenzyliden)amino]-5-(trifluormethyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-[(Z)-(3-Bromobenzylidene)amino]-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-[(Z)-(3-Bromobenzylidène)amino]-5-(trifluorométhyl)-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: 1.8±0.1 g/cm3
Boiling Point: 408.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.6±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 9.54
ACD/KOC (pH 5.5): 89.95
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 82 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 196.9±7.0 cm3

Click to predict properties on the Chemicalize site


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