Basic information
- CAS
52109-23-6- Standard SMILES
CCCCCCCCCCCCCCCCSCCSCCCCCCCCCCCCCCCC- InChIKey
VWVYISUIDOQKFZ-UHFFFAOYSA-N- Molecular formula
- C34H70S2
- Average molar mass
- 543.1 g/mol
- Monoisotopic mass
- 542.49189458
Names & identifiers
- Preferred name
- 17,20-Dithiahexatriacontane
- IUPAC
- 1-(2-hexadecylsulfanylethylsulfanyl)hexadecane
- English name
- 17,20-Dithiahexatriacontane
- Molecular formula
- C34H70S2
- Molecular weight
- 543.05
Names & synonyms
17,20-DITHIAHEXATRIACONTANE52109-23-6Hexadecane, 1,1'-(ethylidenebis(thio))bis-DTXSID70200116RefChem:236676DTXCID701226071-{[2-(hexadecylsulfanyl)ethyl]sulfanyl}hexadecaneSCHEMBL30753722DB-2382181-(2-hexadecylsulfanylethylsulfanyl)hexadecaneHexadecane, 1,1'-[ethylidenebis(thio)]bis- (9CI)
Database identifiers
- CAS
52109-23-6- PubChem CID
- 40233
- DTXSID
DTXSID70200116- Nikkaji
- J87.568F
Properties
Computed structural properties
- XLogP
- 17
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 33
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 601.7 · 601.7±28.0 °C(Predicted)
- Density
- 0.878 · 0.878±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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