BMRB

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-dihydro-1,2-benzothiazole 1,1-dioxide

2,3-dihydro-1,2-benzothiazole 1,1-dioxide bmse012089 - Data

2,3-dihydro-1,2-benzothiazole 1,1-dioxide synonyms

Wikipedia:

Graphical representations:

2,3-dihydro-1,2-benzothiazole

View large 3D structure

Molecular Formula: C7H7NO2S

Natural Isotopic Abundance Mass: 169.20098

Mono-Isotopic Molecular Masses:

  • C12N14: 169.019749469
  • C13N14: 176.04323333500002
  • C12N15: 170.016784362
  • C13N15: 177.04026822800003

InChI string: InChI=1S/C7H7NO2S/c9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4,8H,5H2

IUPAC: b'2,3-dihydro-1,2-benzothiazole 1,1-dioxide'

EU-OPENSCREEN: EOS102811

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)