ChemSpider 2D Image | 7-(Difluoromethoxy)-1H-benzimidazole-5-thiol | C8H6F2N2OS

7-(Difluoromethoxy)-1H-benzimidazole-5-thiol

  • Molecular FormulaC8H6F2N2OS
  • Average mass216.208 Da
  • Monoisotopic mass216.016891 Da
  • ChemSpider ID64846924

More details:






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

1H-Benzimidazole-5-thiol, 7-(difluoromethoxy)- [ACD/Index Name]
7-(Difluormethoxy)-1H-benzimidazol-5-thiol [German] [ACD/IUPAC Name]
7-(Difluoromethoxy)-1H-benzimidazole-5-thiol [ACD/IUPAC Name]
7-(Difluorométhoxy)-1H-benzimidazole-5-thiol [French] [ACD/IUPAC Name]
1805678-56-1 [RN]
4-Difluoromethoxy-6-mercapto-1H-benzimidazole
7-(difluoromethoxy)-1H-1,3-benzodiazole-5-thiol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 228.2±27.3 °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: 1.88
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.56
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
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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