ChemSpider 2D Image | Ranitidine S-Oxide | C13H22N4O4S

Ranitidine S-Oxide

  • Molecular FormulaC13H22N4O4S
  • Average mass330.403 Da
  • Monoisotopic mass330.136169 Da
  • ChemSpider ID34994222

  • 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

({5-[(Dimethylamino)methyl]-2-furyl}methyl)(2-{[(E)-1-(methylamino)-2-nitrovinyl]amino}ethyl)sulfoniumolat [German] [ACD/IUPAC Name]
({5-[(Dimethylamino)methyl]-2-furyl}methyl)(2-{[(E)-1-(methylamino)-2-nitrovinyl]amino}ethyl)sulfoniumolate [ACD/IUPAC Name]
({5-[(Diméthylamino)méthyl]-2-furyl}méthyl)(2-{[(E)-1-(méthylamino)-2-nitrovinyl]amino}éthyl)sulfoniumolate [French] [ACD/IUPAC Name]
2-Furanmethanamine, 5-[[hydroxy[2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethyl]sulfonio]methyl]-N,N-dimethyl-, inner salt [ACD/Index Name]
Ranitidine S-Oxide
73851-70-4 [RN]
UNII-TK8SB999BQ

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 109 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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