4-Thiazolidinecarboxylic acid, 2-methyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-, ethyl ester
Basic information
- CAS
156000-23-6- Standard SMILES
CCOC(=O)C1CSC(C)(CCC2(C)SCCS2)N1- InChIKey
GJZRHIIPCWNHGY-UHFFFAOYSA-N- Molecular formula
- C13H23NO2S3
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.0890925
Names & identifiers
- Preferred name
- 4-Thiazolidinecarboxylic acid, 2-methyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-, ethyl ester
- IUPAC
- ethyl 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine-4-carboxylate
Names & synonyms
4-Thiazolidinecarboxylic acid, 2-methyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-, ethyl ester156000-23-6RefChem:296558ethyl 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine-4-carboxylateDTXSID90935352
Database identifiers
- CAS
156000-23-6- PubChem CID
- 3074293
- DTXSID
DTXSID90935352- Nikkaji
- J577.564G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
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Compound notes
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