ChemSpider 2D Image | (E)-N-[(3R)-3-Methyl-1,1-dioxido-4-thiomorpholinyl]-1-(5-nitro-2-furyl)methanimine | C10H13N3O5S

(E)-N-[(3R)-3-Methyl-1,1-dioxido-4-thiomorpholinyl]-1-(5-nitro-2-furyl)methanimine

  • Molecular FormulaC10H13N3O5S
  • Average mass287.292 Da
  • Monoisotopic mass287.057587 Da
  • ChemSpider ID34992263

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(E)-N-[(3R)-3-Methyl-1,1-dioxido-4-thiomorpholinyl]-1-(5-nitro-2-furyl)methanimin [German] [ACD/IUPAC Name]
(E)-N-[(3R)-3-Methyl-1,1-dioxido-4-thiomorpholinyl]-1-(5-nitro-2-furyl)methanimine [ACD/IUPAC Name]
(E)-N-[(3R)-3-Méthyl-1,1-dioxydo-4-thiomorpholinyl]-1-(5-nitro-2-furyl)méthanimine [French] [ACD/IUPAC Name]
4-Thiomorpholinamine, 3-methyl-N-[(1E)-(5-nitro-2-furanyl)methylene]-, 1,1-dioxide, (3R)- [ACD/Index Name]
23256-30-6 [RN]
245-531-0 [EINECS]
Nifurtimox [BAN] [INN] [USAN] [Wiki]
UNII-M84I3K7C2O

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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