Basic information
- CAS
83505-69-5- Standard SMILES
Fc1c(F)c(F)c(CSc2ccccc2)c(F)c1F- InChIKey
UBDGTQMSSHFQRU-UHFFFAOYSA-N- Molecular formula
- C13H7F5S
- Average molar mass
- 290.25 g/mol
- Monoisotopic mass
- 290.01886221
Names & identifiers
- Preferred name
- 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene
- IUPAC
- 1,2,3,4,5-pentafluoro-6-(phenylsulfanylmethyl)benzene
Names & synonyms
83505-69-51,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzeneBenzene, pentafluoro[(phenylthio)methyl]-Thiophenol, PFBSCHEMBL7755611,2,3,4,5-Pentafluoro-6-[(phenylsulfanyl)methyl]benzeneDTXSID90232414UBDGTQMSSHFQRU-UHFFFAOYSA-N1,2,3,4,5-Pentafluoro-6-[(phenylsulfanyl)methyl]benzene #
Database identifiers
- CAS
83505-69-5- PubChem CID
- 190060
- DTXSID
DTXSID90232414- Nikkaji
- J3.167.112D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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