2-morpholin-4-yl-1,3-benzothiazole

2-morpholin-4-yl-1,3-benzothiazole bmse011051 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H12N2OS

Natural Isotopic Abundance Mass: 220.2907799999999

Mono-Isotopic Molecular Masses:

  • C12N14: 220.067034014
  • C13N14: 231.10393723200005
  • C12N15: 222.0611038
  • C13N15: 233.09800701800006

InChI string: InChI=1S/C11H12N2OS/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2

IUPAC: 2-morpholin-4-yl-1,3-benzothiazole

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)