Basic information
- CAS
64580-53-6- Standard SMILES
CCCCCCSSCC- InChIKey
YKNTWULGFXMYRB-UHFFFAOYSA-N- Molecular formula
- C8H18S2
- Average molar mass
- 178.4 g/mol
- Monoisotopic mass
- 178.08499292
Names & identifiers
- Preferred name
- Disulfide, ethyl hexyl
- IUPAC
- 1-(ethyldisulfanyl)hexane
Names & synonyms
Disulfide, ethyl hexyl64580-53-6DTXSID90336845RefChem:339236DTXCID80287933YKNTWULGFXMYRB-UHFFFAOYSA-N1-(ethyldisulfanyl)hexaneSCHEMBL3378788SCHEMBL3863055
Database identifiers
- CAS
64580-53-6- PubChem CID
- 536724
- DTXSID
DTXSID90336845- Nikkaji
- J542.856D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 55.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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