2,4-Thiazolidinedione, 5-(2,4,5-trimethoxybenzyl)-
Basic information
- CAS
79525-00-1- Standard SMILES
COc1cc(OC)c(OC)cc1CC1SC(=O)NC1=O- InChIKey
VQHDGSMDRLFJSZ-UHFFFAOYSA-N- Molecular formula
- C13H15NO5S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.06709375
Names & identifiers
- Preferred name
- 2,4-Thiazolidinedione, 5-(2,4,5-trimethoxybenzyl)-
- IUPAC
- 5-[(2,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Names & synonyms
BRN 56000165-(2,4,5-Trimethoxybenzyl)-2,4-thiazolidinedione2,4-Thiazolidinedione, 5-(2,4,5-trimethoxybenzyl)-79525-00-12,4-Thiazolidinedione, 5-((2,4,5-trimethoxyphenyl)methyl)-RefChem:246974SCHEMBL11156581DTXSID7010005654-Hydroxy-5-[(2,4,5-trimethoxyphenyl)methyl]-1,3-thiazol-2(5H)-one
Database identifiers
- CAS
79525-00-1- PubChem CID
- 3061682
- DTXSID
DTXSID701000565- Nikkaji
- J59.621C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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