Basic information
- CAS
56912-58-4- Standard SMILES
CCCCCCCCCCCC[S+](C)Cc1cccc(F)c1.[Cl-]- InChIKey
DYSOJYVVAANEDH-UHFFFAOYSA-M- Molecular formula
- C20H34ClFS
- Average molar mass
- 361 g/mol
- Monoisotopic mass
- 360.2053781
Names & identifiers
- Preferred name
- Dodecyl[(3-fluorophenyl)methyl]methylsulfanium chloride
- IUPAC
- dodecyl-[(3-fluorophenyl)methyl]-methylsulfanium chloride
Names & synonyms
56912-58-4SCHEMBL394132DTXSID90853224DODECYL[(3-FLUOROPHENYL)METHYL]METHYLSULFANIUM CHLORIDEDodecyl[(3-fluorophenyl)methyl](methyl)sulfanium chloride
Database identifiers
- CAS
56912-58-4- PubChem CID
- 71444444
- DTXSID
DTXSID90853224
Properties
Computed structural properties
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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