ChemSpider 2D Image | Nifurtimox-d4 | C10H9D4N3O5S

Nifurtimox-d4

  • Molecular FormulaC10H9D4N3O5S
  • Average mass291.317 Da
  • Monoisotopic mass291.082703 Da
  • ChemSpider ID79413314

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(E)-N-[3-Methyl-1,1-dioxido(2,2,6,6-2H4)-4-thiomorpholinyl]-1-(5-nitro-2-furyl)methanimin [German] [ACD/IUPAC Name]
(E)-N-[3-Methyl-1,1-dioxido(2,2,6,6-2H4)-4-thiomorpholinyl]-1-(5-nitro-2-furyl)methanimine [ACD/IUPAC Name]
(E)-N-[3-Méthyl-1,1-dioxydo(2,2,6,6-2H4)-4-thiomorpholinyl]-1-(5-nitro-2-furyl)méthanimine [French] [ACD/IUPAC Name]
4-Thiomorpholin-2,2,6,6-d4-amine, 3-methyl-N-[(1E)-(5-nitro-2-furanyl)methylene]-, 1,1-dioxide [ACD/Index Name]
Nifurtimox-d4

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

Density: 1.6±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 67.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.98
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.98
Polar Surface Area: 117 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 183.4±7.0 cm3

Click to predict properties on the Chemicalize site


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