Biological Magnetic Resonance Data Bank

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


Thioacetamide synonyms

Thiacetamid; Thioacetamide; Acetamide, thio-; Ethanethioamide


Graphical representations:


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Molecular Formula: C2H5NS

Natural Isotopic Abundance Mass: 75.1328

Mono-Isotopic Molecular Masses:

  • C12N14: 75.0142698557
  • C13N14: 77.0209795313
  • C12N15: 76.0113047489
  • C13N15: 78.0180144245

InChI string: InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)

PubChem Compound (CID): 2723949
CAS Registry number: 62-55-5
MMCD: cq_19625
CAS Registry number: 62-55-5
Sigma-Aldrich: 172502_ALDRICH
KEGG Compound ID: D013853
Comparative Toxicogenomics Database: D013853
NIST: 3244568813

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,