BMRB

Biological Magnetic Resonance Data Bank


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

(3S)-5-chloro-N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

(3S)-5-chloro-N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine bmse012376 - Data

(3S)-5-chloro-N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine synonyms

Wikipedia:

Graphical representations:

(3S)-5-chloro-N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

View large 3D structure

Molecular Formula: C9H10ClNO2S

Natural Isotopic Abundance Mass: 231.69920000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 231.012077245
  • C13N14: 240.04227078700004
  • C12N15: 232.009112138
  • C13N15: 241.03930568000004

InChI string: InChI=1S/C9H10ClNO2S/c1-11-8-5-14(12,13)9-3-2-6(10)4-7(8)9/h2-4,8,11H,5H2,1H3/t8-/m1/s1

EU-OPENSCREEN: EOS103125

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)