Basic information
- CAS
459-27-8- Standard SMILES
Fc1ccc(SCCl)cc1- InChIKey
RTKGBOLTBOTURK-UHFFFAOYSA-N- Molecular formula
- C7H6ClFS
- Average molar mass
- 176.64 g/mol
- Monoisotopic mass
- 175.9862772
Names & identifiers
- Preferred name
- 1-[(Chloromethyl)thio]-4-fluorobenzene
- IUPAC
- 1-(chloromethylsulfanyl)-4-fluorobenzene
Names & synonyms
459-27-81-((Chloromethyl)thio)-4-fluorobenzene1-[(Chloromethyl)thio]-4-fluorobenzeneRefChem:2221704-fluorophenylthiomethyl chlorideSCHEMBL10734601DTXSID40603155RTKGBOLTBOTURK-UHFFFAOYSA-N4-fluoro-1(chloromethylthio)benzene4-fluoro-1-(chloromethylthio)benzeneAKOS026733821(chloromethyl)(4-fluorophenyl)-sulfane
Show more names
1-[(Chloromethyl)sulfanyl]-4-fluorobenzene
Database identifiers
- CAS
459-27-8- PubChem CID
- 20161342
- DTXSID
DTXSID40603155
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 91.6
Related reactions
8 records
Compound notes
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