Basic information
- Standard SMILES
CC(=O)SCCC(S)CCCCC(=O)O- InChIKey
KJIYGVNILNZIBG-UHFFFAOYSA-N- Molecular formula
- C10H18O3S2
- Average molar mass
- 250.4 g/mol
- Monoisotopic mass
- 250.06973678
Names & identifiers
- Preferred name
- 8-Acetylmercapto-6-mercaptooctanoic acid
- IUPAC
- 8-acetylsulfanyl-6-sulfanyloctanoic acid
Names & synonyms
SCHEMBL3115782KJIYGVNILNZIBG-UHFFFAOYSA-N8-acetylmercapto-6-mercaptooctanoic acid
Database identifiers
- PubChem CID
- 9859787
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Related reactions
3 records
Compound notes
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