(2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium

C18H10F5S+ — CID 58527728

IUPAC(2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium
SMILESFc1c(F)c(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C18H10F5S/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyAJRONMHOKZREQC-UHFFFAOYSA-N
MW353.34 g/mol
LogP5.48
Rot. Bonds3

About (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium

(2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium (PubChem CID 58527728) has the molecular formula C18H10F5S+ and a molecular weight of 353.34 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium
PubChem CID58527728
Molecular FormulaC18H10F5S+
Molecular Weight353.34 g/mol
Exact Mass353.04
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium
SMILESFc1c(F)c(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C18H10F5S/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyAJRONMHOKZREQC-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.34
LogP ≤ 55.48
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium (CID 58527728) is (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium is Fc1c(F)c(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium?
The InChIKey is AJRONMHOKZREQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5S/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium?
(2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium has a molecular weight of 353.34 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-diphenylsulfanium is sourced from PubChem (CID 58527728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).