Basic information
- CAS
39854-46-1- Standard SMILES
CCCCCCCCC1SCCCS1- InChIKey
GYIAHRMERVPIKC-UHFFFAOYSA-N- Molecular formula
- C12H24S2
- Average molar mass
- 232.5 g/mol
- Monoisotopic mass
- 232.13194311
Names & identifiers
- Preferred name
- 2-Octyl-1,3-dithiane
- IUPAC
- 2-octyl-1,3-dithiane
Names & synonyms
2-Octyl-1,3-dithiane39854-46-11,3-Dithiane, 2-octyl-2-Octyl-1,3-dithiane #SCHEMBL2323127DTXSID70341957GYIAHRMERVPIKC-UHFFFAOYSA-N
Database identifiers
- CAS
39854-46-1- PubChem CID
- 577302
- DTXSID
DTXSID70341957- Nikkaji
- J548.882F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 119
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…