5-Thiazolidinecarboxylic acid, 3-cyclohexyl-4-hydroxy-4-methyl-2-thioxo-, ethyl ester
Basic information
- CAS
23509-65-1- Standard SMILES
CCOC(=O)C1SC(=S)N(C2CCCCC2)C1(C)O- InChIKey
RCKXBEXDSFXKGW-UHFFFAOYSA-N- Molecular formula
- C13H21NO3S2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.09628588
Names & identifiers
- Preferred name
- 5-Thiazolidinecarboxylic acid, 3-cyclohexyl-4-hydroxy-4-methyl-2-thioxo-, ethyl ester
- IUPAC
- ethyl 3-cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
Names & synonyms
23509-65-15-Thiazolidinecarboxylic acid, 3-cyclohexyl-4-hydroxy-4-methyl-2-thioxo-, ethyl esterRefChem:10733663-Cyclohexyl-4-hydroxy-4-methyl-2-thioxo-5-thiazolidinecarboxylic acid ethyl esterethyl 3-cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylateDTXSID10946208
Database identifiers
- CAS
23509-65-1- PubChem CID
- 211646
- DTXSID
DTXSID10946208
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
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Compound notes
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