N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide bmse011178 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H11N3OS2

Natural Isotopic Abundance Mass: 217.31173999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 217.034353987
  • C13N14: 224.05783785300002
  • C12N15: 220.02545866600002
  • C13N15: 227.04894253200004

InChI string: InChI=1S/C7H11N3OS2/c1-4(2)12-7-10-9-6(13-7)8-5(3)11/h4H,1-3H3,(H,8,9,11)

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)