2,5-Dioctyl-1,4-dithiine
Basic information
- CAS
65933-41-7- Standard SMILES
CCCCCCCCC1=CSC(CCCCCCCC)=CS1- InChIKey
PMHIFSXCHJIFFA-UHFFFAOYSA-N- Molecular formula
- C20H36S2
- Average molar mass
- 340.6 g/mol
- Monoisotopic mass
- 340.2258435
Names & identifiers
- Preferred name
- 2,5-Dioctyl-1,4-dithiine
- IUPAC
- 2,5-dioctyl-1,4-dithiine
Names & synonyms
2,5-DIOCTYL-1,4-DITHIINE65933-41-7DTXSID20792990
Database identifiers
- CAS
65933-41-7- PubChem CID
- 71369989
- DTXSID
DTXSID20792990
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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