Basic information
- CAS
59092-72-7- Standard SMILES
CCCCCCCC1SCCCS1- InChIKey
OKFVZFKNCURYDV-UHFFFAOYSA-N- Molecular formula
- C11H22S2
- Average molar mass
- 218.4 g/mol
- Monoisotopic mass
- 218.11629305
Names & identifiers
- Preferred name
- 2-Heptyl-1,3-dithiane
- IUPAC
- 2-heptyl-1,3-dithiane
Names & synonyms
2-Heptyl-1,3-dithiane59092-72-71,3-Dithiane, 2-heptyl-2-Heptyl-1,3-dithiane #SCHEMBL6060709DTXSID50341955OKFVZFKNCURYDV-UHFFFAOYSA-N
Database identifiers
- CAS
59092-72-7- PubChem CID
- 577290
- DTXSID
DTXSID50341955- Nikkaji
- J1.997.167H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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