Basic information
- Standard SMILES
COC(=O)C1CSC(c2cc(O)ccc2O)N1- InChIKey
QKBOWPRCHOXYIM-UHFFFAOYSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.05652907
Names & identifiers
- Preferred name
- Methyl 2-(2,5-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylate
- IUPAC
- methyl 2-(2,5-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylate
Names & synonyms
SCHEMBL7194189QKBOWPRCHOXYIM-UHFFFAOYSA-NMethyl 2-(2,5-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylate
Database identifiers
- PubChem CID
- 9837958
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
2 records
Compound notes
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