Basic information
- Standard SMILES
CCOC(=O)CC(=O)CSC(C)(C)C- InChIKey
YZXKKCHEJQGOBN-UHFFFAOYSA-N- Molecular formula
- C10H18O3S
- Average molar mass
- 218.32 g/mol
- Monoisotopic mass
- 218.09766561
Names & identifiers
- Preferred name
- Ethyl 4-(tert-butylthio)-3-oxobutanoate
- IUPAC
- ethyl 4-tert-butylsulfanyl-3-oxobutanoate
Names & synonyms
ethyl 4-(tert-butylthio)-3-oxobutanoate66762-71-8SCHEMBL170105YZXKKCHEJQGOBN-UHFFFAOYSA-NAKOS008954601DB-3194414-tert-Butylsulfanyl-3-oxo-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 10465978
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Related reactions
7 records
Compound notes
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