5-Thiazolidinecarboxylic acid, 3-ethyl-4-hydroxy-4-methyl-2-thioxo-, ethyl ester

HCID 211645

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Basic information

CAS: 23509-64-0
Standard SMILES: CCOC(=O)C1SC(=S)N(CC)C1(C)O
InChIKey: NNLKEEKTUXDDCX-UHFFFAOYSA-N
Molecular formula: C9H15NO3S2
Average molar mass: 249.4 g/mol
Monoisotopic mass: 249.04933569

Names & identifiers

Preferred name: 5-Thiazolidinecarboxylic acid, 3-ethyl-4-hydroxy-4-methyl-2-thioxo-, ethyl ester
IUPAC: ethyl 3-ethyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate

Names & synonyms

23509-64-05-Thiazolidinecarboxylic acid, 3-ethyl-4-hydroxy-4-methyl-2-thioxo-, ethyl esterRefChem:10733673-Ethyl-4-hydroxy-4-methyl-2-thioxo-5-thiazolidinecarboxylic acid ethyl esterethyl 3-ethyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylateDTXSID50946207

Database identifiers

CAS: 23509-64-0
PubChem CID: 211645
DTXSID: DTXSID50946207

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 285

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