Found 488 results

Search term: MF = 'C_{16}H_{9}N_{3}OS'
ChemSpider 2D Image | 2-(4-Hydroxy-1-benzothiophen-5-yl)-1H-benzimidazole-6-carbonitrile | C16H9N3OS

2-(4-Hydroxy-1-benzothiophen-5-yl)-1H-benzimidazole-6-carbonitrile

  • Molecular FormulaC16H9N3OS
  • Average mass291.327 Da
  • Monoisotopic mass291.046631 Da
  • ChemSpider ID91093373

More details:

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

1H-Benzimidazole-6-carbonitrile, 2-(4-hydroxybenzo[b]thien-5-yl)- [ACD/Index Name]
2-(4-Hydroxy-1-benzothiophen-5-yl)-1H-benzimidazol-6-carbonitril [German] [ACD/IUPAC Name]
2-(4-Hydroxy-1-benzothiophen-5-yl)-1H-benzimidazole-6-carbonitrile [ACD/IUPAC Name]
2-(4-Hydroxy-1-benzothiophén-5-yl)-1H-benzimidazole-6-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 612.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 324.0±34.3 °C
Index of Refraction: 1.835
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.35
ACD/KOC (pH 5.5): 2003.19
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 224.05
ACD/KOC (pH 7.4): 1556.54
Polar Surface Area: 101 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 187.1±5.0 cm3

Click to predict properties on the Chemicalize site


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