ChemSpider 2D Image | Ranitidine S-Oxide | C13H22N4O4S

Ranitidine S-Oxide

  • Molecular FormulaC13H22N4O4S
  • Average mass330.403 Da
  • Monoisotopic mass330.136169 Da
  • ChemSpider ID32675207

More details:

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

1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]sulfinyl]ethyl]-N'-methyl-2-nitro- [ACD/Index Name]
73851-70-4 [RN]
N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfinyl]ethyl}-N'-methyl-2-nitro-1,1-ethendiamin [German] [ACD/IUPAC Name]
N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfinyl]ethyl}-N'-methyl-2-nitro-1,1-ethenediamine [ACD/IUPAC Name]
N-{2-[({5-[(Diméthylamino)méthyl]-2-furyl}méthyl)sulfinyl]éthyl}-N'-méthyl-2-nitro-1,1-éthènediamine [French] [ACD/IUPAC Name]
Ranitidine S-Oxide
Ranitidine-S-oxide
N-[2-[[[5-[(Dimethylamino)methyl]furan-2-yl]methyl]sulphinyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine (Ranitidine Sulphoxide)
N-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfinyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
N1'-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfinyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.8±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 123 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

Click to predict properties on the Chemicalize site


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