Basic information
- CAS
56909-05-8- Standard SMILES
CCCCCCCCSCCCCCCCC(=O)O- InChIKey
IHBAHSFQZFRVJU-UHFFFAOYSA-N- Molecular formula
- C16H32O2S
- Average molar mass
- 288.5 g/mol
- Monoisotopic mass
- 288.21230143
Names & identifiers
- Preferred name
- Octanoic acid, 8-(octylthio)-
- IUPAC
- 8-octylsulfanyloctanoic acid
- English name
- 8-(Octylthio)octanoic acid
- Molecular weight
- 0
Names & synonyms
Octanoic acid, 8-(octylthio)-56909-05-8DTXSID00336558RefChem:366882DTXCID50287647IHBAHSFQZFRVJU-UHFFFAOYSA-N8-(Octylthio)octanoic acid8-(Octylsulfanyl)octanoic acidSCHEMBL165390358-(Octylsulfanyl)octanoic acid #DB-318370
Database identifiers
- CAS
56909-05-8- PubChem CID
- 534580
- DTXSID
DTXSID00336558- Nikkaji
- J110.883B
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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