Rhodanine
Rhodanine synonyms
Rhodanine; 4-Thiazolidinone, 2-thioxo-; 2-thioxo-1,3-thiazolidin-4-one; 2-Thioxo-4-thiazolidinone
Graphical representations:
View large 3D structure
Molecular Formula: C3H3NOS2
Natural Isotopic Abundance Mass: 133.19202
Mono-Isotopic Molecular Masses:
- C12N14: 132.9656051036
- C13N14: 135.975669617
- C12N15: 133.9626399968
- C13N15: 136.9727045102
InChI string: InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
PubChem Compound (CID): 1201546CAS Registry number: 141-84-4
MMCD: cq_04297
EC Number: 205-505-1
MDL number: MFCD00005488
CAS Registry number: 141-84-4
Sigma-Aldrich: 118192_ALDRICH
EPA DSSTox: 32011
ZINC: ZINC03875936
ChEMBL: CHEMBL224633
ChemSpider: 1013337
ICCB-Longwood/NSRB Screening Facility, Harvard Medical School: HMS2231K03
KEGG Compound ID: C07280
NMRShiftDB: 10009296
NIST Chemistry WebBook: 969227693
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)