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-chloro-5-methylsulfanylbenzamide

2-chloro-5-methylsulfanylbenzamide bmse012047 - Data

2-chloro-5-methylsulfanylbenzamide synonyms

Wikipedia:

Graphical representations:

2-chloro-5-methylsulfanylbenzamide

View large 3D structure

Molecular Formula: C8H8ClNOS

Natural Isotopic Abundance Mass: 201.67322000000001

Mono-Isotopic Molecular Masses:

  • C12N14: 201.001512561
  • C13N14: 209.02835126500003
  • C12N15: 201.998547454
  • C13N15: 210.02538615800003

InChI string: InChI=1S/C8H8ClNOS/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H2,10,11)

EU-OPENSCREEN: EOS102765

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)