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-imino-1,3-thiazolidin-4-one

2-imino-1,3-thiazolidin-4-one bmse012677 - Data

2-imino-1,3-thiazolidin-4-one synonyms

Wikipedia:

Graphical representations:

2-imino-1,3-thiazolidin-4-one

View large 3D structure

Molecular Formula: C3H4N2OS

Natural Isotopic Abundance Mass: 116.14165999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 116.004433758
  • C13N14: 119.014498272
  • C12N15: 117.998503544
  • C13N15: 121.00856805800001

InChI string: InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)

EU-OPENSCREEN: EOS103516

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)