2-thiophen-2-yl-1H-imidazole

2-thiophen-2-yl-1H-imidazole bmse011199 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H6N2S

Natural Isotopic Abundance Mass: 150.20093999999995

Mono-Isotopic Molecular Masses:

  • C12N14: 150.025169202
  • C13N14: 157.04865306800002
  • C12N15: 152.019238988
  • C13N15: 159.04272285400003

InChI string: InChI=1S/C7H6N2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-5H,(H,8,9)

IUPAC: 2-thiophen-2-yl-1H-imidazole

wwPDB CCD: JG4

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)