Basic information
- CAS
103808-51-1- Standard SMILES
CCCCCCCCCCCCCCCCCCSCC(=O)O- InChIKey
YNGUXAKJEVGKCF-UHFFFAOYSA-N- Molecular formula
- C20H40O2S
- Average molar mass
- 344.6 g/mol
- Monoisotopic mass
- 344.27490169
Names & identifiers
- Preferred name
- Acetic acid, (octadecylthio)-
- IUPAC
- 2-octadecylsulfanylacetic acid
Names & synonyms
Acetic acid, (octadecylthio)-103808-51-1SCHEMBL1405566DTXSID50469648(OCTADECYLSULFANYL)ACETIC ACID
Database identifiers
- CAS
103808-51-1- PubChem CID
- 11624355
- DTXSID
DTXSID50469648
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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