BMRB

Biological Magnetic Resonance Data Bank


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

3-phenyl-1,2,4-thiadiazol-5-amine

3-phenyl-1,2,4-thiadiazol-5-amine bmse011850 - Data

3-phenyl-1,2,4-thiadiazol-5-amine synonyms

Wikipedia:

Graphical representations:

3-phenyl-1,2,4-thiadiazol-5-amine

View large 3D structure

Molecular Formula: C8H7N3S

Natural Isotopic Abundance Mass: 177.22627999999997

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)

EU-OPENSCREEN: EOS102551

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)