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1-Fluoro-4-[2-[2-[(4-fluorophenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]benzene

HCID 5223899
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Basic information

CAS
6528-62-7
Standard SMILES
Fc1ccc(CSCCOCCSCc2ccc(F)cc2)cc1
InChIKey
ILLQESHXQIRKLK-UHFFFAOYSA-N
Molecular formula
C18H20F2OS2
Average molar mass
354.5 g/mol
Monoisotopic mass
354.09236393

Names & identifiers

Preferred name
1-Fluoro-4-[2-[2-[(4-fluorophenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]benzene
IUPAC
1-fluoro-4-[2-[2-[(4-fluorophenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]benzene

Names & synonyms

6528-62-71-fluoro-4-[2-[2-[(4-fluorophenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]benzeneDTXSID404112721,1'-[Oxybis(ethane-2,1-diylsulfanediylmethylene)]bis(4-fluorobenzene)

Database identifiers

CAS
6528-62-7
PubChem CID
5223899
DTXSID
DTXSID40411272

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
59.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
23
Formal charge
0
Complexity
263

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Compound notes

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