Basic information
- Standard SMILES
CC(=O)S[C@H](C(=O)O)[C@@H](C)C(C)C- InChIKey
MWKLQXCRFGCDRT-XPUUQOCRSA-N- Molecular formula
- C9H16O3S
- Average molar mass
- 204.29 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-2-acetylthio-3,4-dimethylpentanoic acid
- IUPAC
- (2S,3S)-2-acetylsulfanyl-3,4-dimethylpentanoic acid
Names & synonyms
SCHEMBL8883435MWKLQXCRFGCDRT-XPUUQOCRSA-N(2S,3S)-2-acetylthio-3,4-dimethylpentanoic acid
Database identifiers
- PubChem CID
- 57230862
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Related reactions
1 records
Compound notes
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