ChemSpider 2D Image | 4-Hydroxy lansoprazole sulfide | C16H14F3N3O2S

4-Hydroxy lansoprazole sulfide

  • Molecular FormulaC16H14F3N3O2S
  • Average mass369.362 Da
  • Monoisotopic mass369.075867 Da
  • ChemSpider ID29790172

More details:

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

131926-95-9 [RN]
1H-Benzimidazol-4-ol, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]- [ACD/Index Name]
2-({[3-Methyl-4-(2,2,2-trifluorethoxy)-2-pyridinyl]methyl}sulfanyl)-1H-benzimidazol-4-ol [German] [ACD/IUPAC Name]
2-({[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}sulfanyl)-1H-benzimidazol-4-ol [ACD/IUPAC Name]
2-({[3-Méthyl-4-(2,2,2-trifluoroéthoxy)-2-pyridinyl]méthyl}sulfanyl)-1H-benzimidazol-4-ol [French] [ACD/IUPAC Name]
4-Hydroxy lansoprazole sulfide
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazol-7-ol
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazol-4-ol
6-Hydroxy Lansoprazole Sulfide
rac 5-Keto Fluvastatin

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

X1BL278S8B [DBID]
UNII:X1BL278S8B [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 547.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 284.9±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 129.94
ACD/KOC (pH 5.5): 1068.03
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 116.96
ACD/KOC (pH 7.4): 961.28
Polar Surface Area: 96 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 246.5±5.0 cm3

Click to predict properties on the Chemicalize site


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