BMRB

Biological Magnetic Resonance Data Bank


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

5-(methylsulfonylmethyl)-1H-pyrazole

5-(methylsulfonylmethyl)-1H-pyrazole bmse012324 - Data

5-(methylsulfonylmethyl)-1H-pyrazole synonyms

Wikipedia:

Graphical representations:

5-(methylsulfonylmethyl)-1H-pyrazole

View large 3D structure

Molecular Formula: C5H8N2O2S

Natural Isotopic Abundance Mass: 160.19422

Mono-Isotopic Molecular Masses:

  • C12N14: 160.030648506
  • C13N14: 165.047422696
  • C12N15: 162.02471829200002
  • C13N15: 167.04149248200002

InChI string: InChI=1S/C5H8N2O2S/c1-10(8,9)4-5-2-3-6-7-5/h2-3H,4H2,1H3,(H,6,7)

EU-OPENSCREEN: EOS103069

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)