ChemSpider 2D Image | 6-(Difluoromethoxy)-1H-benzimidazole-7-thiol | C8H6F2N2OS

6-(Difluoromethoxy)-1H-benzimidazole-7-thiol

  • Molecular FormulaC8H6F2N2OS
  • Average mass216.208 Da
  • Monoisotopic mass216.016891 Da
  • ChemSpider ID64847233

More details:






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

1H-Benzimidazole-7-thiol, 6-(difluoromethoxy)- [ACD/Index Name]
6-(Difluormethoxy)-1H-benzimidazol-7-thiol [German] [ACD/IUPAC Name]
6-(Difluoromethoxy)-1H-benzimidazole-7-thiol [ACD/IUPAC Name]
6-(Difluorométhoxy)-1H-benzimidazole-7-thiol [French] [ACD/IUPAC Name]
1804176-67-7 [RN]
5-Difluoromethoxy-4-mercapto-1H-benzimidazole
6-(difluoromethoxy)-1H-1,3-benzodiazole-7-thiol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 444.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 222.7±28.7 °C
Index of Refraction: 1.644
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 25.58
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 77 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 143.0±3.0 cm3

Click to predict properties on the Chemicalize site






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