bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate

C18H13Cl2F6PS — CID 53470578

IUPACbis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate
SMILESClc1ccccc1[S+](c1ccccc1)c1ccccc1Cl.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C18H13Cl2S.F6P/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;1-7(2,3,4,5)6/h1-13H;/q+1;-1
InChIKeyCLMBFRSSQDPLCK-UHFFFAOYSA-N
MW477.24 g/mol
LogP9.47
Rot. Bonds3

About bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate

bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate (PubChem CID 53470578) has the molecular formula C18H13Cl2F6PS and a molecular weight of 477.24 g/mol. Its IUPAC name is bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate.

Molecular Properties

Compound Namebis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate
PubChem CID53470578
Molecular FormulaC18H13Cl2F6PS
Molecular Weight477.24 g/mol
Exact Mass475.98
IUPAC Namebis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate
SMILESClc1ccccc1[S+](c1ccccc1)c1ccccc1Cl.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C18H13Cl2S.F6P/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;1-7(2,3,4,5)6/h1-13H;/q+1;-1
InChIKeyCLMBFRSSQDPLCK-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.24
LogP ≤ 59.47
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate?
The IUPAC name of bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate (CID 53470578) is bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate.
What is the SMILES notation for bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate?
The canonical SMILES for bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate is Clc1ccccc1[S+](c1ccccc1)c1ccccc1Cl.F[P-](F)(F)(F)(F)F.
What is the InChIKey of bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate?
The InChIKey is CLMBFRSSQDPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2S.F6P/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;1-7(2,3,4,5)6/h1-13H;/q+1;-1.
What are the key properties of bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate?
bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate has a molecular weight of 477.24 g/mol, XLogP of 9.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorophenyl)-phenylsulfanium hexafluorophosphate is sourced from PubChem (CID 53470578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).