Basic information
- CAS
29677-50-7- Standard SMILES
CCCCCCCCCCCCCCCCS(=O)CCCCCCCCCCCCCCCC- InChIKey
BUHFRUVZJRJKQQ-UHFFFAOYSA-N- Molecular formula
- C32H66OS
- Average molar mass
- 498.9 g/mol
- Monoisotopic mass
- 498.4834379
Names & identifiers
- Preferred name
- 1-(Hexadecane-1-sulfinyl)hexadecane
- IUPAC
- 1-hexadecylsulfinylhexadecane
Names & synonyms
29677-50-7NSC2294491-(HEXADECANE-1-SULFINYL)HEXADECANESCHEMBL4791112DTXSID20310638NSC-229449
Database identifiers
- CAS
29677-50-7- PubChem CID
- 313787
- DTXSID
DTXSID20310638
Properties
Computed structural properties
- XLogP
- 14.8
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 30
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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