5-[(3,4-Dimethoxyphenyl)methylene]-2,4-thiazolidinedione
Basic information
- CAS
6325-95-7- Standard SMILES
COc1ccc(C=C2SC(=O)NC2=O)cc1OC- InChIKey
ARJGUVIAPHIKLE-UHFFFAOYSA-N- Molecular formula
- C12H11NO4S
- Average molar mass
- 265.29 g/mol
- Monoisotopic mass
- 265.04087901
Names & identifiers
- Preferred name
- 5-[(3,4-Dimethoxyphenyl)methylene]-2,4-thiazolidinedione
- IUPAC
- 5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Names & synonyms
5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dioneMLS002639392SCHEMBL2424658CHEMBL1700458SCHEMBL31521577DTXSID501202456HMS3079J11PD119229SMR0015488375-[(3,4-Dimethoxyphenyl)methylene]-2,4-thiazolidinedione
Database identifiers
- CAS
6325-95-7- PubChem CID
- 233073
- DTXSID
DTXSID501202456- ChEMBL
CHEMBL1700458
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
LogP1.17
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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