2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane
Basic information
- CAS
6317-15-3- Standard SMILES
CCC1(c2ccc(Cl)cc2)SCCS1- InChIKey
MVMVILNYGXUCCT-UHFFFAOYSA-N- Molecular formula
- C11H13ClS2
- Average molar mass
- 244.8 g/mol
- Monoisotopic mass
- 244.0147205
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane
- IUPAC
- 2-(4-chlorophenyl)-2-ethyl-1,3-dithiolane
Names & synonyms
6317-15-32-(4-chlorophenyl)-2-ethyl-1,3-dithiolaneNSC40459DTXSID20285094NSC-40459
Database identifiers
- CAS
6317-15-3- PubChem CID
- 237168
- DTXSID
DTXSID20285094
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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