Basic information
- CAS
73987-20-9- Standard SMILES
CCCCCCCCCCSCCCCCSCCCCCCCCCC- InChIKey
USHHVGUVPUFDKA-UHFFFAOYSA-N- Molecular formula
- C25H52S2
- Average molar mass
- 416.8 g/mol
- Monoisotopic mass
- 416.35104401
Names & identifiers
- Preferred name
- 11,17-Dithiaheptacosane
- IUPAC
- 1-(5-decylsulfanylpentylsulfanyl)decane
- English name
- 11,17-Dithiaheptacosane
- Molecular weight
- 0
Names & synonyms
11,17-DITHIAHEPTACOSANEBRN 191133273987-20-9DTXSID20224761RefChem:236123DTXCID501472521-{[5-(decylsulfanyl)pentyl]sulfanyl}decane
Database identifiers
- CAS
73987-20-9- PubChem CID
- 52851
- DTXSID
DTXSID20224761- Nikkaji
- J87.566J
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 24
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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