BMRB

Biological Magnetic Resonance Data Bank


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

(1R,3S)-3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1-oxide

(1R,3S)-3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1-oxide bmse012210 - Data

(1R,3S)-3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1-oxide synonyms

Wikipedia:

Graphical representations:

(1R,3S)-3-(1-methylpyrazol-4-yl)-1,4-thiazinane

View large 3D structure

Molecular Formula: C8H13N3OS

Natural Isotopic Abundance Mass: 199.27332

Mono-Isotopic Molecular Masses:

  • C12N14: 199.077933051
  • C13N14: 207.10477175500003
  • C12N15: 202.06903773000002
  • C13N15: 210.09587643400005

InChI string: InChI=1S/C8H13N3OS/c1-11-5-7(4-10-11)8-6-13(12)3-2-9-8/h4-5,8-9H,2-3,6H2,1H3/t8-,13-/m1/s1

EU-OPENSCREEN: EOS102943

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)