2-[(5Z)-4-oxo-5-(pyridin-3-ylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Basic information
- CAS
5860-92-4- Standard SMILES
CC(C(=O)O)N1C(=O)/C(=C/c2cccnc2)SC1=S- InChIKey
KDYSKVJPLKZMGI-UITAMQMPSA-N- Molecular formula
- C12H10N2O3S2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.01328453
Names & identifiers
- Preferred name
- 2-[(5Z)-4-oxo-5-(pyridin-3-ylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
- IUPAC
- 2-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Names & synonyms
5860-92-42-[(5Z)-4-oxo-5-(pyridin-3-ylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]propanoic acidAC1NSO8SDTXSID504166722-[4-oxo-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]propanoic acidSMSF0008227AKOS001613907AKOS016048656CB003592-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acidAB00099551-01(Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoic acid
Show more names
2-{(5Z)-4-Oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Database identifiers
- CAS
5860-92-4- PubChem CID
- 5337191
- DTXSID
DTXSID50416672
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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