ChemSpider 2D Image | 1-(1-Benzothiophen-5-yl)-2-sulfanyl-1H-benzimidazole-6-carbonitrile | C16H9N3S2

1-(1-Benzothiophen-5-yl)-2-sulfanyl-1H-benzimidazole-6-carbonitrile

  • Molecular FormulaC16H9N3S2
  • Average mass307.393 Da
  • Monoisotopic mass307.023773 Da
  • ChemSpider ID50942966

More details:

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

1-(1-Benzothiophen-5-yl)-2-sulfanyl-1H-benzimidazol-6-carbonitril [German] [ACD/IUPAC Name]
1-(1-Benzothiophen-5-yl)-2-sulfanyl-1H-benzimidazole-6-carbonitrile [ACD/IUPAC Name]
1-(1-Benzothiophén-5-yl)-2-sulfanyl-1H-benzimidazole-6-carbonitrile [French] [ACD/IUPAC Name]
1H-Benzimidazole-6-carbonitrile, 1-benzo[b]thien-5-yl-2-mercapto- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 571.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±29.6 °C
Index of Refraction: 1.796
Molar Refractivity: 90.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 52.03
ACD/KOC (pH 5.5): 250.33
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 19.00
Polar Surface Area: 109 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 211.6±7.0 cm3

Click to predict properties on the Chemicalize site


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