dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)

C17H21F6SSb — CID 19795276

IUPACdibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)
SMILESCC(C)[S+](Cc1ccccc1)Cc1ccccc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C17H21S.6FH.Sb/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17;;;;;;;/h3-12,15H,13-14H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyGFTBKLHIZFUDHO-UHFFFAOYSA-H
MW493.17 g/mol
LogP6.55
Rot. Bonds5

About dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)

dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-) (PubChem CID 19795276) has the molecular formula C17H21F6SSb and a molecular weight of 493.17 g/mol. Its IUPAC name is dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-).

Molecular Properties

Compound Namedibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)
PubChem CID19795276
Molecular FormulaC17H21F6SSb
Molecular Weight493.17 g/mol
Exact Mass492.03
IUPAC Namedibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)
SMILESCC(C)[S+](Cc1ccccc1)Cc1ccccc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C17H21S.6FH.Sb/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17;;;;;;;/h3-12,15H,13-14H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyGFTBKLHIZFUDHO-UHFFFAOYSA-H
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.17
LogP ≤ 56.55
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

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benzyl(diethyl)sulfanium chloride
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benzyl(diethyl)sulfanium hydroxide
CID 161058007
benzyl(diphenyl)sulfanium tetrafluoroborate
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dibenzyl(phenyl)sulfanium tetrafluoroborate
CID 19795269
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benzyl(trimethyl)phosphanium;hydrobromide
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benzyl(trimethyl)phosphanium;hydrochloride
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CID 173414157
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CID 70794652

Frequently Asked Questions

What is the IUPAC name of dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)?
The IUPAC name of dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-) (CID 19795276) is dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-).
What is the SMILES notation for dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)?
The canonical SMILES for dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-) is CC(C)[S+](Cc1ccccc1)Cc1ccccc1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)?
The InChIKey is GFTBKLHIZFUDHO-UHFFFAOYSA-H. The full InChI is InChI=1S/C17H21S.6FH.Sb/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17;;;;;;;/h3-12,15H,13-14H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)?
dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-) has a molecular weight of 493.17 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-) is sourced from PubChem (CID 19795276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).