Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C2H7NS

Natural Isotopic Abundance Mass: 77.14868

Mono-Isotopic Molecular Masses:

  • C12N14: 77.0299199199
  • C13N14: 79.0366295955
  • C12N15: 78.0269548131
  • C13N15: 80.0336644887

InChI string: InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2

PubChem Compound (CID): 6058
CAS Registry number: 156-57-0 93965-19-6 27761-19-9 60-23-1 3037-04-5 16904-32-8 139720-70-0 42954-15-4
Sigma-Aldrich: M9768_SIGMA
ChEBI: CHEBI:17141
EPA DSSTox: 2875
ChemBank: Spectrum_001755
BindingDB: 7968
ChemIDplus: 000060231
DrugBank: DB00847
ChemSpider: 13887621
EINECS: 200-463-0
CCRIS: 3083
KEGG Compound ID: C01678
NIST Chemistry WebBook: 1104526219
PDB Compound ID: DHL SEA

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,