2-[(5-{(E)-[(2,4-Dioxo-1-Imidazolidinyl)Imino]Methyl}-2-Thienyl)Sulfanyl]Benzoic Acid

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Properties Simple | Detailed

Formula C15H11N3O4S2
IUPAC Name 2-[[5-[(e)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-2-thienyl]sulfanyl]benzoic acid
Molecular Mass 361.396 g·mol−1
Heat of Formation -277.1 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 386.22 Å 3
Surface Area 348.82 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-(carboxyphenylthio)-2-thenylideneamino)hydantoin
  • 1-cttah
  • 2-[5-[(2,4-dioxoimidazolidin-1-yl)iminomethyl]thiophen-2-yl]sulfanylbenzoic acid
  • 2-[5-[(e)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]thiophen-2-yl]sulfanylbenzoic acid
  • 2-[[5-[(2,4-diketoimidazolidin-1-yl)iminomethyl]-2-thienyl]thio]benzoic acid
  • 2-[[5-[(2,4-dioxo-1-imidazolidinyl)iminomethyl]-2-thienyl]thio]benzoic acid
  • 2-[[5-[(2,4-dioxoimidazolidin-1-yl)iminomethyl]-2-thienyl]sulfanyl]benzoic acid
  • 2-[[5-[(e)-(2,4-diketoimidazolidin-1-yl)iminomethyl]-2-thienyl]thio]benzoic acid
  • 2-[[5-[(e)-(2,4-dioxo-1-imidazolidinyl)iminomethyl]-2-thienyl]thio]benzoic acid
  • 2-[[5-[(e)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-2-thienyl]sulfanyl]benzoic acid
  • benzoic acid, 2-((5-(((2,4-dioxo-1-imidazolidinyl)imino)methyl)-2-thienyl)thio)-
CAS Number(s)
  • 126384-99-4
InChIKey IPNHTOGYBOOBER-FRKPEAEDSA-N
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