(4-fluorophenyl)-diphenylsulfanium

C18H14FS+ — CID 3497654

IUPAC(4-fluorophenyl)-diphenylsulfanium
SMILESFc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14FS/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1
InChIKeyJTOWCKDEJVXWAR-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.92
Rot. Bonds3

About (4-fluorophenyl)-diphenylsulfanium

(4-fluorophenyl)-diphenylsulfanium (PubChem CID 3497654) has the molecular formula C18H14FS+ and a molecular weight of 281.38 g/mol. Its IUPAC name is (4-fluorophenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(4-fluorophenyl)-diphenylsulfanium
PubChem CID3497654
Molecular FormulaC18H14FS+
Molecular Weight281.38 g/mol
Exact Mass281.08
IUPAC Name(4-fluorophenyl)-diphenylsulfanium
SMILESFc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14FS/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1
InChIKeyJTOWCKDEJVXWAR-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-diphenylsulfanium?
The IUPAC name of (4-fluorophenyl)-diphenylsulfanium (CID 3497654) is (4-fluorophenyl)-diphenylsulfanium.
What is the SMILES notation for (4-fluorophenyl)-diphenylsulfanium?
The canonical SMILES for (4-fluorophenyl)-diphenylsulfanium is Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-fluorophenyl)-diphenylsulfanium?
The InChIKey is JTOWCKDEJVXWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FS/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1.
What are the key properties of (4-fluorophenyl)-diphenylsulfanium?
(4-fluorophenyl)-diphenylsulfanium has a molecular weight of 281.38 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-diphenylsulfanium is sourced from PubChem (CID 3497654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).