triphenylsulfanium tetrafluoroborate

C18H15BF4S — CID 2760877

IUPACtriphenylsulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1
InChIKeyRTWMEMGVYYTCOZ-UHFFFAOYSA-N
MW350.19 g/mol
LogP6.08
Rot. Bonds3

About triphenylsulfanium tetrafluoroborate

triphenylsulfanium tetrafluoroborate (PubChem CID 2760877) has the molecular formula C18H15BF4S and a molecular weight of 350.19 g/mol. Its IUPAC name is triphenylsulfanium tetrafluoroborate.

Molecular Properties

Compound Nametriphenylsulfanium tetrafluoroborate
PubChem CID2760877
Molecular FormulaC18H15BF4S
Molecular Weight350.19 g/mol
Exact Mass350.09
IUPAC Nametriphenylsulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1
InChIKeyRTWMEMGVYYTCOZ-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.19
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Diphenyl sulfide
CID 8766
Tris(phenylthio)methane
CID 615706
Cyclopropyldiphenylsulphonium tetrafluoroborate
CID 2724210
Methyldiphenylsulphonium tetrafluoroborate(1-)
CID 2758717
Triphenylsulfonium chloride
CID 61343
Sulfonium, triphenyl-, hexafluorophosphate(1-) (1:1)
CID 93819
Sulfonium, triphenyl-, (OC-6-11)-hexafluoroantimonate(1-) (1:1)
CID 93820
Sulfonium, triphenyl-, hexafluoroarsenate(1-) (1:1)
CID 93839
Sulfonium, diphenyl[4-(phenylthio)phenyl]-, (OC-6-11)-hexafluoroantimonate(1-) (1:1)
CID 16688304
1-Propene, 3,3,3-Trifluoro-1,1,2-tris(phenylthio)-
CID 616198
((2-(Phenylthio)-1-cyclobuten-1-yl)thio)benzene
CID 332690
Bis(4-fluorophenyl)sulfane
CID 11229781

Frequently Asked Questions

What is the IUPAC name of triphenylsulfanium tetrafluoroborate?
The IUPAC name of triphenylsulfanium tetrafluoroborate (CID 2760877) is triphenylsulfanium tetrafluoroborate.
What is the SMILES notation for triphenylsulfanium tetrafluoroborate?
The canonical SMILES for triphenylsulfanium tetrafluoroborate is F[B-](F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenylsulfanium tetrafluoroborate?
The InChIKey is RTWMEMGVYYTCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15S.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1.
What are the key properties of triphenylsulfanium tetrafluoroborate?
triphenylsulfanium tetrafluoroborate has a molecular weight of 350.19 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsulfanium tetrafluoroborate is sourced from PubChem (CID 2760877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).