(2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate

C24H17Cl2F6PS2 — CID 91998076

IUPAC(2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate
SMILESClc1ccccc1Sc1ccccc1[S+](c1ccccc1)c1ccccc1Cl.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C24H17Cl2S2.F6P/c25-19-12-4-6-14-21(19)27-22-15-7-9-17-24(22)28(18-10-2-1-3-11-18)23-16-8-5-13-20(23)26;1-7(2,3,4,5)6/h1-17H;/q+1;-1
InChIKeyVMCDLVNAAHQBKT-UHFFFAOYSA-N
MW585.40 g/mol
LogP11.62
Rot. Bonds5

About (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate

(2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate (PubChem CID 91998076) has the molecular formula C24H17Cl2F6PS2 and a molecular weight of 585.40 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate
PubChem CID91998076
Molecular FormulaC24H17Cl2F6PS2
Molecular Weight585.40 g/mol
Exact Mass583.98
IUPAC Name(2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate
SMILESClc1ccccc1Sc1ccccc1[S+](c1ccccc1)c1ccccc1Cl.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C24H17Cl2S2.F6P/c25-19-12-4-6-14-21(19)27-22-15-7-9-17-24(22)28(18-10-2-1-3-11-18)23-16-8-5-13-20(23)26;1-7(2,3,4,5)6/h1-17H;/q+1;-1
InChIKeyVMCDLVNAAHQBKT-UHFFFAOYSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.40
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate?
The IUPAC name of (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate (CID 91998076) is (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate.
What is the SMILES notation for (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate?
The canonical SMILES for (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate is Clc1ccccc1Sc1ccccc1[S+](c1ccccc1)c1ccccc1Cl.F[P-](F)(F)(F)(F)F.
What is the InChIKey of (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate?
The InChIKey is VMCDLVNAAHQBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2S2.F6P/c25-19-12-4-6-14-21(19)27-22-15-7-9-17-24(22)28(18-10-2-1-3-11-18)23-16-8-5-13-20(23)26;1-7(2,3,4,5)6/h1-17H;/q+1;-1.
What are the key properties of (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate?
(2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate has a molecular weight of 585.40 g/mol, XLogP of 11.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium hexafluorophosphate is sourced from PubChem (CID 91998076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).