Basic information
- CAS
161091-56-1- Standard SMILES
CCCCC(Cl)C1Sc2ccccc2S1- InChIKey
ZEYDOQUDABCLHG-UHFFFAOYSA-N- Molecular formula
- C12H15ClS2
- Average molar mass
- 258.8 g/mol
- Monoisotopic mass
- 258.0303705
Names & identifiers
- Preferred name
- 2-(1-Chloropentyl)-1,3-benzodithiole
- IUPAC
- 2-(1-chloropentyl)-1,3-benzodithiole
Names & synonyms
2-(1-chloropentyl)-1,3-benzodithioleDTXSID501292067161091-56-12-(1-chloro-pentyl)-[1,3]benzodithiole2-(1-Chloropentyl)-2H-1,3-benzodithiole
Database identifiers
- CAS
161091-56-1- PubChem CID
- 10377828
- DTXSID
DTXSID501292067
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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