ChemSpider 2D Image | [(3,5-Dimethyl-2-pyridinyl)methyl](5-methoxy-1H-benzimidazol-2-yl)sulfoniumolate | C16H17N3O2S

[(3,5-Dimethyl-2-pyridinyl)methyl](5-methoxy-1H-benzimidazol-2-yl)sulfoniumolate

  • Molecular FormulaC16H17N3O2S
  • Average mass315.390 Da
  • Monoisotopic mass315.104156 Da
  • ChemSpider ID34986210
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(3,5-Dimethyl-2-pyridinyl)methyl](5-methoxy-1H-benzimidazol-2-yl)sulfoniumolat [German] [ACD/IUPAC Name]
[(3,5-Dimethyl-2-pyridinyl)methyl](5-methoxy-1H-benzimidazol-2-yl)sulfoniumolate [ACD/IUPAC Name]
[(3,5-Diméthyl-2-pyridinyl)méthyl](5-méthoxy-1H-benzimidazol-2-yl)sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, [(3,5-dimethyl-2-pyridinyl)methyl]hydroxy(5-methoxy-1H-benzimidazol-2-yl)-, inner salt [ACD/Index Name]
110374-16-8 [RN]
H-180/29
UNII-0S4HQG5KFN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#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: 74 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 230.0±5.0 cm3

Click to predict properties on the Chemicalize site






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