Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

NMR Quality Control Of Fragment Libraries For Screening synonyms


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Molecular Formula: C10H12FNO2S

Natural Isotopic Abundance Mass: 229.2711831999999

Mono-Isotopic Molecular Masses:

  • C12N14: 229.057277849
  • C13N14: 239.09082622900004
  • C12N15: 230.054312742
  • C13N15: 240.08786112200005

InChI string: InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2

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,