benzyl(diphenyl)sulfanium tetrafluoroborate

C19H17BF4S — CID 11485309

IUPACbenzyl(diphenyl)sulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17S.BF4/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;2-1(3,4)5/h1-15H,16H2;/q+1;-1
InChIKeyCERDQSFEZXVCBW-UHFFFAOYSA-N
MW364.22 g/mol
LogP6.22
Rot. Bonds4

About benzyl(diphenyl)sulfanium tetrafluoroborate

benzyl(diphenyl)sulfanium tetrafluoroborate (PubChem CID 11485309) has the molecular formula C19H17BF4S and a molecular weight of 364.22 g/mol. Its IUPAC name is benzyl(diphenyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namebenzyl(diphenyl)sulfanium tetrafluoroborate
PubChem CID11485309
Molecular FormulaC19H17BF4S
Molecular Weight364.22 g/mol
Exact Mass364.11
IUPAC Namebenzyl(diphenyl)sulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17S.BF4/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;2-1(3,4)5/h1-15H,16H2;/q+1;-1
InChIKeyCERDQSFEZXVCBW-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.22
LogP ≤ 56.22
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'}

Analyze benzyl(diphenyl)sulfanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl phenyl sulfide
CID 13255
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-bis(phenylthio)toluene
CID 608010
Phenyl styryl sulfide
CID 611297
p-Bis((phenylthio)methyl)benzene
CID 611565
Benzene, 1,1'-[(1-phenylethylidene)bis(thio)]bis-
CID 4296225
Triphenylsulfonium Tetrafluoroborate
CID 2760877
(Difluoromethyl)bis(2,5-dimethylphenyl)sulfonium Tetrafluoroborate
CID 139050395
4-Fluorobenzyl phenyl sulfide
CID 2737284
1,1'-[(Benzenesulfinyl)methylene]dibenzene
CID 225269
(3,3-Bis(benzylthio)-1-propenyl)benzene
CID 5933112

Frequently Asked Questions

What is the IUPAC name of benzyl(diphenyl)sulfanium tetrafluoroborate?
The IUPAC name of benzyl(diphenyl)sulfanium tetrafluoroborate (CID 11485309) is benzyl(diphenyl)sulfanium tetrafluoroborate.
What is the SMILES notation for benzyl(diphenyl)sulfanium tetrafluoroborate?
The canonical SMILES for benzyl(diphenyl)sulfanium tetrafluoroborate is F[B-](F)(F)F.c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(diphenyl)sulfanium tetrafluoroborate?
The InChIKey is CERDQSFEZXVCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17S.BF4/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;2-1(3,4)5/h1-15H,16H2;/q+1;-1.
What are the key properties of benzyl(diphenyl)sulfanium tetrafluoroborate?
benzyl(diphenyl)sulfanium tetrafluoroborate has a molecular weight of 364.22 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(diphenyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 11485309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).