ChemSpider 2D Image | {[4-(2,2,3,3,4,4,4-Heptafluorobutoxy)-2-pyridinyl]methyl}(1H-thieno[3,4-d]imidazol-2-yl)sulfoniumolate | C15H10F7N3O2S2

{[4-(2,2,3,3,4,4,4-Heptafluorobutoxy)-2-pyridinyl]methyl}(1H-thieno[3,4-d]imidazol-2-yl)sulfoniumolate

  • Molecular FormulaC15H10F7N3O2S2
  • Average mass461.378 Da
  • Monoisotopic mass461.010254 Da
  • ChemSpider ID34988031

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{[4-(2,2,3,3,4,4,4-Heptafluorbutoxy)-2-pyridinyl]methyl}(1H-thieno[3,4-d]imidazol-2-yl)sulfoniumolat [German] [ACD/IUPAC Name]
{[4-(2,2,3,3,4,4,4-Heptafluorobutoxy)-2-pyridinyl]methyl}(1H-thieno[3,4-d]imidazol-2-yl)sulfoniumolate [ACD/IUPAC Name]
{[4-(2,2,3,3,4,4,4-Heptafluorobutoxy)-2-pyridinyl]méthyl}(1H-thiéno[3,4-d]imidazol-2-yl)sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, [[4-(2,2,3,3,4,4,4-heptafluorobutoxy)-2-pyridinyl]methyl]hydroxy-1H-thieno[3,4-d]imidazol-2-yl-, inner salt [ACD/Index Name]
121617-11-6 [RN]
SAVIPRAZOLE [INN]
UNII-8NO3IX3KJ7

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.583
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#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: 102 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 273.4±5.0 cm3

Click to predict properties on the Chemicalize site


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