Basic information
- Standard SMILES
FS(F)(F)(F)(F)c1ccc(CN=C=S)cc1- InChIKey
TVKBDJXKUDUEEV-UHFFFAOYSA-N- Molecular formula
- C8H6F5NS2
- Average molar mass
- 275.3 g/mol
Names & identifiers
- Preferred name
- 4-(Pentafluorosulphanyl)benzylisothiocyanate
- IUPAC
- pentafluoro-[4-(isothiocyanatomethyl)phenyl]-λ6-sulfane
Names & synonyms
SCHEMBL2251295TVKBDJXKUDUEEV-UHFFFAOYSA-N4-(pentafluorosulphanyl)benzylisothiocyanate
Database identifiers
- PubChem CID
- 86630633
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Related reactions
2 records
Compound notes
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