BMRB

Biological Magnetic Resonance Data Bank


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

7,7-dimethyl-1,4-thiazepane

7,7-dimethyl-1,4-thiazepane bmse012097 - Data

7,7-dimethyl-1,4-thiazepane synonyms

Wikipedia:

Graphical representations:

7,7-dimethyl-1,4-thiazepane

View large 3D structure

Molecular Formula: C7H15NS

Natural Isotopic Abundance Mass: 145.26569999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 145.092520485
  • C13N14: 152.11600435100002
  • C12N15: 146.089555378
  • C13N15: 153.11303924400002

InChI string: InChI=1S/C7H15NS/c1-7(2)3-4-8-5-6-9-7/h8H,3-6H2,1-2H3

EU-OPENSCREEN: EOS102819

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)