Basic information
- CAS
57009-77-5- Standard SMILES
c1ccc2c(C3SCCCS3)cccc2c1- InChIKey
ZKKDVLOFLUTRAC-UHFFFAOYSA-N- Molecular formula
- C14H14S2
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.05369279
Names & identifiers
- Preferred name
- 2-(Naphthalen-1-yl)-1,3-dithiane
- IUPAC
- 2-naphthalen-1-yl-1,3-dithiane
Names & synonyms
2-(Naphthalen-1-yl)-1,3-dithiane57009-77-5SCHEMBL10353538DTXSID20494861
Database identifiers
- CAS
57009-77-5- PubChem CID
- 12371611
- DTXSID
DTXSID20494861- Nikkaji
- J1.135.207C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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