(2-chlorophenyl)-diphenylsulfanium hexafluorophosphate

C18H14ClF6PS — CID 53470579

IUPAC(2-chlorophenyl)-diphenylsulfanium hexafluorophosphate
SMILESClc1ccccc1[S+](c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C18H14ClS.F6P/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-7(2,3,4,5)6/h1-14H;/q+1;-1
InChIKeyYCNYKERCFBINBA-UHFFFAOYSA-N
MW442.79 g/mol
LogP8.82
Rot. Bonds3

About (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate

(2-chlorophenyl)-diphenylsulfanium hexafluorophosphate (PubChem CID 53470579) has the molecular formula C18H14ClF6PS and a molecular weight of 442.79 g/mol. Its IUPAC name is (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate.

Molecular Properties

Compound Name(2-chlorophenyl)-diphenylsulfanium hexafluorophosphate
PubChem CID53470579
Molecular FormulaC18H14ClF6PS
Molecular Weight442.79 g/mol
Exact Mass442.01
IUPAC Name(2-chlorophenyl)-diphenylsulfanium hexafluorophosphate
SMILESClc1ccccc1[S+](c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C18H14ClS.F6P/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-7(2,3,4,5)6/h1-14H;/q+1;-1
InChIKeyYCNYKERCFBINBA-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.79
LogP ≤ 58.82
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 (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate?
The IUPAC name of (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate (CID 53470579) is (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate.
What is the SMILES notation for (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate?
The canonical SMILES for (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate is Clc1ccccc1[S+](c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate?
The InChIKey is YCNYKERCFBINBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClS.F6P/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-7(2,3,4,5)6/h1-14H;/q+1;-1.
What are the key properties of (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate?
(2-chlorophenyl)-diphenylsulfanium hexafluorophosphate has a molecular weight of 442.79 g/mol, XLogP of 8.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-diphenylsulfanium hexafluorophosphate is sourced from PubChem (CID 53470579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).