Basic information
- CAS
41159-15-3- Standard SMILES
CCC1(c2ccc(F)cc2)SCCS1- InChIKey
IEBZUNXXAKBBHS-UHFFFAOYSA-N- Molecular formula
- C11H13FS2
- Average molar mass
- 228.4 g/mol
- Monoisotopic mass
- 228.04427092
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-ethyl-2-(p-fluorophenyl)-
- IUPAC
- 2-ethyl-2-(4-fluorophenyl)-1,3-dithiolane
Names & synonyms
BRN 55179681,3-DITHIOLANE, 2-ETHYL-2-(p-FLUOROPHENYL)-2-Ethyl-2-(p-fluorophenyl)-1,3-dithiolane41159-15-3DTXSID60194095RefChem:219185DTXCID701165862-ethyl-2-(4-fluorophenyl)-1,3-dithiolaneSCHEMBL1721850
Database identifiers
- CAS
41159-15-3- PubChem CID
- 38775
- DTXSID
DTXSID60194095- Nikkaji
- J91.159C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- 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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