(2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)

C18H14ClF6SSb — CID 91666539

IUPAC(2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)
SMILESClc1ccccc1[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C18H14ClS.6FH.Sb/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;;;;;;;/h1-14H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyNLPSZBFKJYDLCR-UHFFFAOYSA-H
MW533.58 g/mol
LogP7.58
Rot. Bonds3

About (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)

(2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-) (PubChem CID 91666539) has the molecular formula C18H14ClF6SSb and a molecular weight of 533.58 g/mol. Its IUPAC name is (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-).

Molecular Properties

Compound Name(2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)
PubChem CID91666539
Molecular FormulaC18H14ClF6SSb
Molecular Weight533.58 g/mol
Exact Mass531.94
IUPAC Name(2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)
SMILESClc1ccccc1[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C18H14ClS.6FH.Sb/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;;;;;;;/h1-14H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyNLPSZBFKJYDLCR-UHFFFAOYSA-H
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.58
LogP ≤ 57.58
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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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)?
The IUPAC name of (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-) (CID 91666539) is (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-).
What is the SMILES notation for (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)?
The canonical SMILES for (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-) is Clc1ccccc1[S+](c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)?
The InChIKey is NLPSZBFKJYDLCR-UHFFFAOYSA-H. The full InChI is InChI=1S/C18H14ClS.6FH.Sb/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;;;;;;;/h1-14H;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-)?
(2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-) has a molecular weight of 533.58 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-diphenylsulfanium;hexafluoroantimony(1-) is sourced from PubChem (CID 91666539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).