BMRB

Biological Magnetic Resonance Data Bank


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

Thiophen-3-ylmethanamine

Thiophen-3-ylmethanamine bmse012624 - Data

Thiophen-3-ylmethanamine synonyms

Wikipedia:

Graphical representations:

thiophen-3-ylmethanamine

View large 3D structure

Molecular Formula: C5H7NS

Natural Isotopic Abundance Mass: 113.18077999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 113.029920229
  • C13N14: 118.046694419
  • C12N15: 114.026955122
  • C13N15: 119.04372931200001

InChI string: InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2

IUPAC: b'thiophen-3-ylmethanamine'

BMRB Ligand Expo: BVC
EU-OPENSCREEN: EOS103454

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)