Octanesulfonic acid, thio-, S-hexadecyl ester
Basic information
- CAS
7559-51-5- Standard SMILES
CCCCCCCCCCCCCCCCSS(=O)(=O)CCCCCCCC- InChIKey
KHMGNPHNXZGWBT-UHFFFAOYSA-N- Molecular formula
- C24H50O2S2
- Average molar mass
- 434.8 g/mol
- Monoisotopic mass
- 434.32522318
Names & identifiers
- Preferred name
- Octanesulfonic acid, thio-, S-hexadecyl ester
- IUPAC
- 1-octylsulfonylsulfanylhexadecane
- English name
- 1-Octanethiosulfonic acid S-hexadecyl ester
- Molecular weight
- 0
Names & synonyms
7559-51-5OCTANESULFONIC ACID, THIO-, S-HEXADECYL ESTERDTXSID40226500RefChem:1093807DTXCID00148991S-Hexadecyl octanethiosulfonate1-octylsulfonylsulfanylhexadecane1-Octanesulfonic acid, thio-, S-hexadecyl esterNSC124778NSC-124778NSC 124778BRN 1914868
Show more names
1-Octanethiosulfonic acid S-hexadecyl ester1-Octanesulfonothioic acid S-hexadecyl ester
ZV6GXM3B7KS-Hexadecyl 1-octanesulfonothioateS-hexadecyl octane-1-sulfonothioate1-Hexadecanethiol, 1-octanesulfonateOctanesulfonic acid, S-hexadecyl ester1-Octanesulfonic acid, S-hexadecyl ester1-Octanesulfonothioic acid, S-hexadecyl ester
Database identifiers
- CAS
7559-51-5- PubChem CID
- 24209
- DTXSID
DTXSID40226500- UNII
- ZV6GXM3B7K
- Nikkaji
- J42.514A
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 23
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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