ChemSpider 2D Image | 5-[1-(4-Methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione | C16H12N4O2S

5-[1-(4-Methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione

  • Molecular FormulaC16H12N4O2S
  • Average mass324.357 Da
  • Monoisotopic mass324.068085 Da
  • ChemSpider ID25057931

More details:






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

1,3,4-Oxadiazole-2(3H)-thione, 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]- [ACD/Index Name]
5-[1-(4-Methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
5-[1-(4-Methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione [ACD/IUPAC Name]
5-[1-(4-Méthoxyphényl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione [French] [ACD/IUPAC Name]
3HT
5-[1-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-2,3-dihydro-1,3,4-oxadiazole-2-thione
5-[3-(4-methoxyphenyl)-1,3-benzodiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 505.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.2±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 5.84
ACD/KOC (pH 5.5): 63.38
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.45
Polar Surface Area: 93 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 221.8±7.0 cm3

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