3-methylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one

3-methylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one bmse012476 - Data

3-methylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one synonyms

Wikipedia:

Graphical representations:

3-methylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one

View large 3D structure

Molecular Formula: C3H5N3OS

Natural Isotopic Abundance Mass: 131.1563

Mono-Isotopic Molecular Masses:

  • C12N14: 131.015332795
  • C13N14: 134.025397309
  • C12N15: 134.006437474
  • C13N15: 137.01650198800002

InChI string: InChI=1S/C3H5N3OS/c1-8-3-4-2(7)5-6-3/h1H3,(H2,4,5,6,7)

EU-OPENSCREEN: EOS103242

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)