ChemSpider 2D Image | N-{[(2E)-2-(4-Methoxybenzylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine | C15H21N3O6S

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

  • Molecular FormulaC15H21N3O6S
  • Average mass371.409 Da
  • Monoisotopic mass371.115112 Da
  • ChemSpider ID25057570

  • 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-Methoxyphenyl)methylidene]hydrazino}carbonothioyl)-β-D-Glucopyranosylamine
N-{[(2E)-2-(4-Methoxybenzyliden)hydrazino]carbonothioyl}-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-{[(2E)-2-(4-Methoxybenzylidene)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-{[(2E)-2-(4-Méthoxybenzylidène)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[[(2E)-2-[(4-methoxyphenyl)methylene]hydrazinyl]thioxomethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.5±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.55
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.51
Polar Surface Area: 168 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 241.1±7.0 cm3

Click to predict properties on the Chemicalize site


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