5-Thiazolidinecarboxylic acid, 3,4-dimethyl-4-hydroxy-2-thioxo-, ethyl ester
Basic information
- CAS
23509-63-9- Standard SMILES
CCOC(=O)C1SC(=S)N(C)C1(C)O- InChIKey
DOJFITTUVHSVNO-UHFFFAOYSA-N- Molecular formula
- C8H13NO3S2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.03368562
Names & identifiers
- Preferred name
- 5-Thiazolidinecarboxylic acid, 3,4-dimethyl-4-hydroxy-2-thioxo-, ethyl ester
- IUPAC
- ethyl 4-hydroxy-3,4-dimethyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
Names & synonyms
23509-63-95-Thiazolidinecarboxylic acid, 3,4-dimethyl-4-hydroxy-2-thioxo-, ethyl esterRefChem:10733623,4-Dimethyl-4-hydroxy-2-thioxo-5-thiazolidinecarboxylic acid ethyl esterethyl 4-hydroxy-3,4-dimethyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylateDTXSID90946206
Database identifiers
- CAS
23509-63-9- PubChem CID
- 211644
- DTXSID
DTXSID90946206
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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