Basic information
- Standard SMILES
CSCCC(=O)C(=O)[O-]- InChIKey
SXFSQZDSUWACKX-UHFFFAOYSA-M- Molecular formula
- C5H7O3S-
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.01159025
Names & identifiers
- Preferred name
- 4-Methylthio-2-oxobutanoate
- IUPAC
- 4-methylsulfanyl-2-oxobutanoate
Names & synonyms
4-methylthio-2-oxobutanoateCHEBI:16723RefChem:10711944-methylsulfanyl-2-oxobutanoate4-(methylsulfanyl)-2-oxobutanoateketomethiobutyrate2-ketomethiobutyrateKMTB4-methylthio-2-oxobutyrate2-keto-4-methylthiobutyrate4-methylthio-2-ketobutyrate4-methylthio-2-ketobutanoate
Show more names
alpha-keto-gamma-methylthiobutyric acidalpha-ketomethiobutyratealpha-ketomethiobutyric acid2-keto-methyl-thio-butyrate2-keto-4-methylthiobutanoate4-(methylthio)-2-oxobutanoatealpha-keto-4-methylthiobutyrateCHEBI:133493
Database identifiers
- PubChem CID
- 4584184
- ChEBI
CHEBI:16723
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- -1
- Complexity
- 116
Related reactions
1 records
Compound notes
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