Basic information
- CAS
871085-52-8- Standard SMILES
COc1ccc(/C=C2\SC(=O)NC2=O)cc1C- InChIKey
NJKCGNLNRWYSFL-POHAHGRESA-N- Molecular formula
- C12H11NO3S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.04596439
Names & identifiers
- Preferred name
- (5Z)-5-[(4-Methoxy-3-methylphenyl)methylene]-2,4-thiazolidinedione
- IUPAC
- (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Names & synonyms
SCHEMBL6273793DTXSID001166629(5Z)-5-[(4-Methoxy-3-methylphenyl)methylene]-2,4-thiazolidinedione871085-52-8(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
871085-52-8- PubChem CID
- 11680374
- DTXSID
DTXSID001166629
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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