ChemSpider 2D Image | N-{[(2E)-2-(4-Bromobenzylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine | C14H18BrN3O5S

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

  • Molecular FormulaC14H18BrN3O5S
  • Average mass420.279 Da
  • Monoisotopic mass419.015045 Da
  • ChemSpider ID25057111

  • 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-Bromophenyl)methylidene]hydrazino}carbonothioyl)-β-D-Glucopyranosylamine
N-{[(2E)-2-(4-Brombenzyliden)hydrazino]carbonothioyl}-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-{[(2E)-2-(4-Bromobenzylidene)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-{[(2E)-2-(4-Bromobenzylidène)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[[(2E)-2-[(4-bromophenyl)methylene]hydrazinyl]thioxomethyl]- [ACD/Index 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: 608.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.0±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 117.86
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 117.74
Polar Surface Area: 159 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 232.0±7.0 cm3

Click to predict properties on the Chemicalize site


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