BMRB

Biological Magnetic Resonance Data Bank


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

N-(2-methylsulfanylphenyl)propanamide

N-(2-methylsulfanylphenyl)propanamide bmse012005 - Data

N-(2-methylsulfanylphenyl)propanamide synonyms

Wikipedia:

Graphical representations:

N-(2-methylsulfanylphenyl)propanamide

View large 3D structure

Molecular Formula: C10H13NOS

Natural Isotopic Abundance Mass: 195.28132000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 195.071785041
  • C13N14: 205.10533342100004
  • C12N15: 196.068819934
  • C13N15: 206.10236831400005

InChI string: InChI=1S/C10H13NOS/c1-3-10(12)11-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H,11,12)

EU-OPENSCREEN: EOS102719

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)