Deprecated ChemSpider Record

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ChemSpider 2D Image | 2-{[(3,4-Dimethoxy-2-pyridinyl)methyl]sulfanyl}-5-methyl-1H-benzimidazole | C16H17N3O2S


  • Molecular FormulaC16H17N3O2S
  • Average mass315.390 Da
  • Monoisotopic mass315.104156 Da
  • ChemSpider ID27445341

More details:

Date of deprecation: 17:48, Jul 8, 2013
Reason for deprecation: Deprecate record: Structure not supported by the sole data source.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 513.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.1±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 242.13
ACD/KOC (pH 5.5): 1516.71
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 413.56
ACD/KOC (pH 7.4): 2590.57
Polar Surface Area: 85 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 239.8±5.0 cm3

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