4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole

4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole bmse011403 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H9N3O2S2

Natural Isotopic Abundance Mass: 243.3059599999999

Mono-Isotopic Molecular Masses:

  • C12N14: 243.013618543
  • C13N14: 251.04045724700003
  • C12N15: 246.00472322200002
  • C13N15: 254.03156192600005

InChI string: InChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3

wwPDB CCD: J4Q

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)