chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)

C22H16ClF6OS2Sb — CID 163360373

IUPACchloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)
SMILESCl[SH+]c1ccc(Oc2cccs2)c(-c2ccccc2)c1-c1ccccc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C22H15ClOS2.6FH.Sb/c23-26-19-14-13-18(24-20-12-7-15-25-20)21(16-8-3-1-4-9-16)22(19)17-10-5-2-6-11-17;;;;;;;/h1-15H;6*1H;/q;;;;;;;+5/p-5
InChIKeyZOZIJOROUNFISE-UHFFFAOYSA-I
MW631.70 g/mol
LogP9.34
Rot. Bonds5

About chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)

chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-) (PubChem CID 163360373) has the molecular formula C22H16ClF6OS2Sb and a molecular weight of 631.70 g/mol. Its IUPAC name is chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-).

Molecular Properties

Compound Namechloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)
PubChem CID163360373
Molecular FormulaC22H16ClF6OS2Sb
Molecular Weight631.70 g/mol
Exact Mass629.93
IUPAC Namechloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)
SMILESCl[SH+]c1ccc(Oc2cccs2)c(-c2ccccc2)c1-c1ccccc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C22H15ClOS2.6FH.Sb/c23-26-19-14-13-18(24-20-12-7-15-25-20)21(16-8-3-1-4-9-16)22(19)17-10-5-2-6-11-17;;;;;;;/h1-15H;6*1H;/q;;;;;;;+5/p-5
InChIKeyZOZIJOROUNFISE-UHFFFAOYSA-I
XLogP9.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.70
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)?
The IUPAC name of chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-) (CID 163360373) is chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-).
What is the SMILES notation for chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)?
The canonical SMILES for chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-) is Cl[SH+]c1ccc(Oc2cccs2)c(-c2ccccc2)c1-c1ccccc1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)?
The InChIKey is ZOZIJOROUNFISE-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H15ClOS2.6FH.Sb/c23-26-19-14-13-18(24-20-12-7-15-25-20)21(16-8-3-1-4-9-16)22(19)17-10-5-2-6-11-17;;;;;;;/h1-15H;6*1H;/q;;;;;;;+5/p-5.
What are the key properties of chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-)?
chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-) has a molecular weight of 631.70 g/mol, XLogP of 9.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,3-diphenyl-4-thiophen-2-yloxyphenyl)sulfanium;hexafluoroantimony(1-) is sourced from PubChem (CID 163360373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).