Basic information
- CAS
5060-70-8- Standard SMILES
CCCCCCCCCCCCCCCCCCSc1ccc2ccccc2c1- InChIKey
LMIXQYAGWZATQI-UHFFFAOYSA-N- Molecular formula
- C28H44S
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.31637258
Names & identifiers
- Preferred name
- 2-(Octadecylsulfanyl)naphthalene
- IUPAC
- 2-octadecylsulfanylnaphthalene
Names & synonyms
2-(octadecylsulfanyl)naphthalene5060-70-8DTXSID80301941RefChem:254474DTXCID60253075NSC1475352-(octadecylthio)naphthaleneNSC-147535
Database identifiers
- CAS
5060-70-8- PubChem CID
- 287482
- DTXSID
DTXSID80301941- Nikkaji
- J1.954.604G
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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