Hexadecanesulfonic acid, thio-, S-hexadecyl ester
Basic information
- CAS
7559-44-6- Standard SMILES
CCCCCCCCCCCCCCCCSS(=O)(=O)CCCCCCCCCCCCCCCC- InChIKey
GIYYIWBIWXYPIE-UHFFFAOYSA-N- Molecular formula
- C32H66O2S2
- Average molar mass
- 547 g/mol
- Monoisotopic mass
- 546.45042369
Names & identifiers
- Preferred name
- Hexadecanesulfonic acid, thio-, S-hexadecyl ester
- IUPAC
- 1-hexadecylsulfonylsulfanylhexadecane
- English name
- 1-Hexadecanesulfonothioic acid S-hexadecyl ester
- Molecular formula
- C32H66O2S2
- Molecular weight
- 547
Names & synonyms
7559-44-6HEXADECANESULFONIC ACID, THIO-, S-HEXADECYL ESTERDTXSID30226498RefChem:1086518DTXCID30148989S-Hexadecyl hexadecanethiosulfonateNSC 124777BRN 19163651-Hexadecanesulfonic acid, thio-, S-hexadecyl esterNSC124777NSC-124777S-Hexadecyl hexadecane-1-sulfonothioate
Show more names
1-Hexadecanesulfonothioic acid S-hexadecyl ester
Hexadecanesulfonic acid, S-hexadecyl ester1-Hexadecanesulfonic acid, S-hexadecyl ester
Database identifiers
- CAS
7559-44-6- PubChem CID
- 24207
- DTXSID
DTXSID30226498- Nikkaji
- J49.378C
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 31
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Boiling point
- 630.9 · 630.9±24.0 °C(Predicted)
- Density
- 0.924 · 0.924±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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