Basic information
- CAS
54788-11-3- Standard SMILES
CCCCCCC1SCC(CCl)S1- InChIKey
BAFBRGJNDOIHGG-UHFFFAOYSA-N- Molecular formula
- C10H19ClS2
- Average molar mass
- 238.8 g/mol
- Monoisotopic mass
- 238.0616706
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-2-hexyl-1,3-dithiolane
- IUPAC
- 4-(chloromethyl)-2-hexyl-1,3-dithiolane
Names & synonyms
54788-11-34-(Chloromethyl)-2-hexyl-1,3-dioxlane4-(chloromethyl)-2-hexyl-1,3-dithiolane1,3-Dioxlane, 4-(chloromethyl)-2-hexyl-DTXSID10970124
Database identifiers
- CAS
54788-11-3- PubChem CID
- 150618
- DTXSID
DTXSID10970124
Properties
Computed structural properties
- XLogP
- 5
- 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
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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