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-(5-methylthiophen-2-yl)ethanamine

2-(5-methylthiophen-2-yl)ethanamine bmse011845 - Data

2-(5-methylthiophen-2-yl)ethanamine synonyms

Wikipedia:

Graphical representations:

2-(5-methylthiophen-2-yl)ethanamine

View large 3D structure

Molecular Formula: C7H11NS

Natural Isotopic Abundance Mass: 141.23394

Mono-Isotopic Molecular Masses:

  • C12N14: 141.061220357
  • C13N14: 148.08470422300002
  • C12N15: 142.05825525
  • C13N15: 149.08173911600002

InChI string: InChI=1S/C7H11NS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5,8H2,1H3

IUPAC: b'2-(5-methylthiophen-2-yl)ethanamine'

EU-OPENSCREEN: EOS102546

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)