Basic information
- CAS
6628-01-9- Standard SMILES
CCC1(C)SC(C)(C)NC1C(=O)O.Cl- InChIKey
NYQHWBIAQQHWBZ-UHFFFAOYSA-N- Molecular formula
- C9H18ClNO2S
- Average molar mass
- 239.76 g/mol
- Monoisotopic mass
- 239.0746777
Names & identifiers
- Preferred name
- 5-Ethyl-2,2,5-trimethyl-1,3-thiazolidine-4-carboxylic acid--hydrogen chloride (1/1)
- IUPAC
- 5-ethyl-2,2,5-trimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
Names & synonyms
6628-01-9DTXSID40713127NSC602735-Ethyl-2,2,5-trimethyl-1,3-thiazolidine-4-carboxylic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
6628-01-9- PubChem CID
- 54601351
- DTXSID
DTXSID40713127
Properties
Computed structural properties
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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