3-({1-[2-(4-Methylphenoxy)Ethyl]-1H-Benzimidazol-2-Yl}Sulfanyl)Propanoic Acid

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Properties Simple | Detailed

Formula C19H20N2O3S
IUPAC Name 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-ylium-2-yl]sulfanylpropanoic acid
Molecular Mass 356.439 g·mol−1
Heat of Formation -270.9 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 421.74 Å 3
Surface Area 386.55 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[1-(2-p-tolyloxy-ethyl)-1h-benzoimidazol-2-ylsulfanyl]-propionic acid
  • 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid
  • 3-[[1-[2-(4-methylphenoxy)ethyl]-2-benzimidazolyl]thio]propanoic acid
  • 3-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]thio]propionic acid
  • ag-690/11665301
  • bas 00665323
  • oprea1_072283
  • oprea1_159980
InChIKey KGCGDYADLNUQIH-UHFFFAOYSA-N
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