3-Pyrrolidinecarboxylic acid, 1,4-dimethyl-5-thioxo-, ethyl ester
Basic information
- CAS
60298-16-0- Standard SMILES
CCOC(=O)C1CN(C)C(=S)C1C- InChIKey
CMOZEGVNWLIDNB-UHFFFAOYSA-N- Molecular formula
- C9H15NO2S
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.08234989
Names & identifiers
- Preferred name
- 3-Pyrrolidinecarboxylic acid, 1,4-dimethyl-5-thioxo-, ethyl ester
- IUPAC
- ethyl 1,4-dimethyl-5-sulfanylidenepyrrolidine-3-carboxylate
Names & synonyms
60298-16-0Ethyl 1,4-dimethyl-5-thioxopyrrolidine-3-carboxylateethyl 1,4-dimethyl-5-sulfanylidenepyrrolidine-3-carboxylate3-Pyrrolidinecarboxylic acid, 1,4-dimethyl-5-thioxo-, ethyl esterDTXSID70485128
Database identifiers
- CAS
60298-16-0- PubChem CID
- 12292467
- DTXSID
DTXSID70485128
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
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Compound notes
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