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-[[(3R)-thian-3-yl]amino]ethanol

2-[[(3R)-thian-3-yl]amino]ethanol bmse011835 - Data

2-[[(3R)-thian-3-yl]amino]ethanol synonyms

Wikipedia:

Graphical representations:

2-[[(3R)-thian-3-yl]amino]ethanol

View large 3D structure

Molecular Formula: C7H15NOS

Natural Isotopic Abundance Mass: 161.2651

Mono-Isotopic Molecular Masses:

  • C12N14: 161.087435105
  • C13N14: 168.11091897100002
  • C12N15: 162.084469998
  • C13N15: 169.10795386400002

InChI string: InChI=1S/C7H15NOS/c9-4-3-8-7-2-1-5-10-6-7/h7-9H,1-6H2/t7-/m1/s1

EU-OPENSCREEN: EOS102536

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)