benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)

C15H17AsF6OS — CID 14876330

IUPACbenzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)
SMILESCC[S+](Cc1ccccc1)c1ccc(O)cc1.F[As-](F)(F)(F)(F)F
InChIInChI=1S/C15H16OS.AsF6/c1-2-17(12-13-6-4-3-5-7-13)15-10-8-14(16)9-11-15;2-1(3,4,5,6)7/h3-11H,2,12H2,1H3;/q;-1/p+1
InChIKeyIZJHOVFRVWSZAS-UHFFFAOYSA-O
MW434.28 g/mol
LogP5.73
Rot. Bonds4

About benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)

benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-) (PubChem CID 14876330) has the molecular formula C15H17AsF6OS and a molecular weight of 434.28 g/mol. Its IUPAC name is benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-).

Molecular Properties

Compound Namebenzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)
PubChem CID14876330
Molecular FormulaC15H17AsF6OS
Molecular Weight434.28 g/mol
Exact Mass434.01
IUPAC Namebenzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)
SMILESCC[S+](Cc1ccccc1)c1ccc(O)cc1.F[As-](F)(F)(F)(F)F
InChIInChI=1S/C15H16OS.AsF6/c1-2-17(12-13-6-4-3-5-7-13)15-10-8-14(16)9-11-15;2-1(3,4,5,6)7/h3-11H,2,12H2,1H3;/q;-1/p+1
InChIKeyIZJHOVFRVWSZAS-UHFFFAOYSA-O
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.28
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

dibenzyl-(4-hydroxyphenyl)sulfanium
CID 18182968
dibenzyl(phenyl)sulfanium tetrafluoroborate
CID 19795269
antimony(5+);dibenzyl(phenyl)sulfanium;hexafluoride
CID 170839039
diethyl-(4-hydroxyphenyl)sulfanium;methyl sulfate
CID 158288076
bis(4-hydroxyphenyl)-phenylsulfanium
CID 14453763
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
benzene;phenol;propane
CID 157176896
benzyl(diethyl)sulfanium chloride
CID 23454507
benzyl(diethyl)sulfanium hydroxide
CID 161058007
bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate
CID 23132993
phenol;propylbenzene
CID 18469730
methanol;phenol;propane
CID 91268562

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)?
The IUPAC name of benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-) (CID 14876330) is benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-).
What is the SMILES notation for benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)?
The canonical SMILES for benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-) is CC[S+](Cc1ccccc1)c1ccc(O)cc1.F[As-](F)(F)(F)(F)F.
What is the InChIKey of benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)?
The InChIKey is IZJHOVFRVWSZAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16OS.AsF6/c1-2-17(12-13-6-4-3-5-7-13)15-10-8-14(16)9-11-15;2-1(3,4,5,6)7/h3-11H,2,12H2,1H3;/q;-1/p+1.
What are the key properties of benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-)?
benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-) has a molecular weight of 434.28 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-(4-hydroxyphenyl)sulfanium;hexafluoroarsenic(1-) is sourced from PubChem (CID 14876330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).