N-phenyl-1,3,4-thiadiazol-2-amine

N-phenyl-1,3,4-thiadiazol-2-amine bmse011022 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H7N3S

Natural Isotopic Abundance Mass: 177.22627999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 177.036068239
  • C13N14: 185.06290694300003
  • C12N15: 180.02717291800002
  • C13N15: 188.05401162200005

InChI string: InChI=1S/C8H7N3S/c1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-6H,(H,10,11)

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)