5-[(2-Carboxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
Basic information
- CAS
299950-18-8- Standard SMILES
O=C(O)CCN1C(=O)C(=Cc2ccccc2C(=O)O)SC1=S- InChIKey
LPEJEQCBERIQPA-UHFFFAOYSA-N- Molecular formula
- C14H11NO5S2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.0078648
Names & identifiers
- Preferred name
- 5-[(2-Carboxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
- IUPAC
- 2-[[3-(2-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Names & synonyms
DTXSID0011463085-[(2-Carboxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid299950-18-82-{[3-(2-Carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Database identifiers
- CAS
299950-18-8- PubChem CID
- 4755482
- DTXSID
DTXSID001146308
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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