ChemSpider 2D Image | N-({(2E)-2-[4-(Trifluoromethyl)benzylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | C15H18F3N3O5S

N-({(2E)-2-[4-(Trifluoromethyl)benzylidene]hydrazino}carbonothioyl)-β-D-glucopyranosylamine

  • Molecular FormulaC15H18F3N3O5S
  • Average mass409.381 Da
  • Monoisotopic mass409.091919 Da
  • ChemSpider ID25056844

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-({(2E)-2-[4-(Trifluormethyl)benzyliden]hydrazino}carbonothioyl)-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-({(2E)-2-[4-(Trifluoromethyl)benzylidene]hydrazino}carbonothioyl)-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-({(2E)-2-[4-(Trifluorométhyl)benzylidène]hydrazino}carbonothioyl)-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
N-{[(2e)-2-{[4-(Trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-β-D-Glucopyranosylamine
β-D-Glucopyranosylamine, N-[thioxo[(2E)-2-[[4-(trifluoromethyl)phenyl]methylene]hydrazinyl]methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 569.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 298.0±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 88.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.87
ACD/KOC (pH 5.5): 138.18
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.86
ACD/KOC (pH 7.4): 138.06
Polar Surface Area: 159 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 249.5±7.0 cm3

Click to predict properties on the Chemicalize site


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