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-methylsulfonyl-1H-imidazole

2-methylsulfonyl-1H-imidazole bmse012289 - Data

2-methylsulfonyl-1H-imidazole synonyms

Wikipedia:

Graphical representations:

2-methylsulfonyl-1H-imidazole

View large 3D structure

Molecular Formula: C4H6N2O2S

Natural Isotopic Abundance Mass: 146.16764

Mono-Isotopic Molecular Masses:

  • C12N14: 146.014998442
  • C13N14: 150.028417794
  • C12N15: 148.00906822800002
  • C13N15: 152.02248758000002

InChI string: InChI=1S/C4H6N2O2S/c1-9(7,8)4-5-2-3-6-4/h2-3H,1H3,(H,5,6)

IUPAC: b'2-methylsulfonyl-1H-imidazole'

EU-OPENSCREEN: EOS103031

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)