BMRB

Biological Magnetic Resonance Data Bank


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

Thiazinane 1,1-dioxide

Thiazinane 1,1-dioxide bmse012302 - Data

Thiazinane 1,1-dioxide synonyms

Wikipedia:

Graphical representations:

thiazinane

View large 3D structure

Molecular Formula: C4H9NO2S

Natural Isotopic Abundance Mass: 135.18475999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 135.035399533
  • C13N14: 139.048818885
  • C12N15: 136.032434426
  • C13N15: 140.045853778

InChI string: InChI=1S/C4H9NO2S/c6-8(7)4-2-1-3-5-8/h5H,1-4H2

IUPAC: b'thiazinane 1,1-dioxide'

EU-OPENSCREEN: EOS103045

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)