1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane
Basic information
- CAS
65796-89-6- Standard SMILES
CCCCCCCCCCCCCCCCCCSC(C)(C)SCCCCCCCCCCCCCCCCCC- InChIKey
MHXVSUCNJFYFDC-UHFFFAOYSA-N- Molecular formula
- C39H80S2
- Average molar mass
- 613.2 g/mol
- Monoisotopic mass
- 612.5701449
Names & identifiers
- Preferred name
- 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane
- IUPAC
- 1-(2-octadecylsulfanylpropan-2-ylsulfanyl)octadecane
Names & synonyms
65796-89-6NSC179687SCHEMBL117048051-{[2-(octadecylsulfanyl)propan-2-yl]sulfanyl}octadecaneDTXSID10306762NSC-179687
Database identifiers
- CAS
65796-89-6- PubChem CID
- 301646
- DTXSID
DTXSID10306762
Properties
Computed structural properties
- XLogP
- 19.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 36
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 420
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Compound notes
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