BMRB

Biological Magnetic Resonance Data Bank


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

Thiophene-2-carboxamide

Thiophene-2-carboxamide bmse012157 - Data

Thiophene-2-carboxamide synonyms

Wikipedia:

Graphical representations:

thiophene-2-carboxamide

View large 3D structure

Molecular Formula: C5H5NOS

Natural Isotopic Abundance Mass: 127.16429999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 127.009184785
  • C13N14: 132.025958975
  • C12N15: 128.006219678
  • C13N15: 133.02299386800001

InChI string: InChI=1S/C5H5NOS/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)

IUPAC: b'thiophene-2-carboxamide'

EU-OPENSCREEN: EOS102884

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)