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-(4-fluorophenyl)sulfanylacetamide

2-(4-fluorophenyl)sulfanylacetamide bmse011778 - Data

2-(4-fluorophenyl)sulfanylacetamide synonyms

Wikipedia:

Graphical representations:

2-(4-fluorophenyl)sulfanylacetamide

View large 3D structure

Molecular Formula: C8H8FNOS

Natural Isotopic Abundance Mass: 185.2186232

Mono-Isotopic Molecular Masses:

  • C12N14: 185.031063101
  • C13N14: 193.05790180500003
  • C12N15: 186.028097994
  • C13N15: 194.05493669800003

InChI string: InChI=1S/C8H8FNOS/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)

EU-OPENSCREEN: EOS102476

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)