ChemSpider 2D Image | 2-({2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-3,1-benzimidazol-3-ium | C17H18N3OS

2-({2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-3,1-benzimidazol-3-ium

  • Molecular FormulaC17H18N3OS
  • Average mass312.409 Da
  • Monoisotopic mass312.116516 Da
  • ChemSpider ID21221777

  • Charge - Charge

More details:

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

1H-3,1-Benzimidazolium, 2-[[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]thio]- [ACD/Index Name]
2-({2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-3,1-benzimidazol-3-ium [ACD/IUPAC Name]
2-({2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-3,1-benzimidazol-3-ium [German] [ACD/IUPAC Name]
2-({2-[(2,6-Diméthylphényl)amino]-2-oxoéthyl}sulfanyl)-1H-3,1-benzimidazol-3-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 332.47
ACD/KOC (pH 5.5): 2172.46
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 358.92
ACD/KOC (pH 7.4): 2345.31
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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