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

C24H18ClF6PS2 — CID 90474773

IUPAC[2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate
SMILESClc1ccccc1Sc1ccccc1[S+](c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C24H18ClS2.F6P/c25-21-15-7-8-16-22(21)26-23-17-9-10-18-24(23)27(19-11-3-1-4-12-19)20-13-5-2-6-14-20;1-7(2,3,4,5)6/h1-18H;/q+1;-1
InChIKeyTYARKGONSXUKEA-UHFFFAOYSA-N
MW550.96 g/mol
LogP10.97
Rot. Bonds5

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

[2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate (PubChem CID 90474773) has the molecular formula C24H18ClF6PS2 and a molecular weight of 550.96 g/mol. Its IUPAC name is [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate
PubChem CID90474773
Molecular FormulaC24H18ClF6PS2
Molecular Weight550.96 g/mol
Exact Mass550.02
IUPAC Name[2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate
SMILESClc1ccccc1Sc1ccccc1[S+](c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C24H18ClS2.F6P/c25-21-15-7-8-16-22(21)26-23-17-9-10-18-24(23)27(19-11-3-1-4-12-19)20-13-5-2-6-14-20;1-7(2,3,4,5)6/h1-18H;/q+1;-1
InChIKeyTYARKGONSXUKEA-UHFFFAOYSA-N
XLogP10.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.96
LogP ≤ 510.97
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'}

Analyze [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate?
The IUPAC name of [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate (CID 90474773) is [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate.
What is the SMILES notation for [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate?
The canonical SMILES for [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate is Clc1ccccc1Sc1ccccc1[S+](c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate?
The InChIKey is TYARKGONSXUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClS2.F6P/c25-21-15-7-8-16-22(21)26-23-17-9-10-18-24(23)27(19-11-3-1-4-12-19)20-13-5-2-6-14-20;1-7(2,3,4,5)6/h1-18H;/q+1;-1.
What are the key properties of [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate?
[2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate has a molecular weight of 550.96 g/mol, XLogP of 10.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium hexafluorophosphate is sourced from PubChem (CID 90474773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).