bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate

C24H15F5O5S2 — CID 23133190

IUPACbis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate
SMILESO=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H14O2S.C6HF5O3S/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h1-13H,(H-,19,20);(H,12,13,14)
InChIKeyFVYBNHSJOKQZLD-UHFFFAOYSA-N
MW542.50 g/mol
LogP5.48
Rot. Bonds4

About bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate

bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate (PubChem CID 23133190) has the molecular formula C24H15F5O5S2 and a molecular weight of 542.50 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate
PubChem CID23133190
Molecular FormulaC24H15F5O5S2
Molecular Weight542.50 g/mol
Exact Mass542.03
IUPAC Namebis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate
SMILESO=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H14O2S.C6HF5O3S/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h1-13H,(H-,19,20);(H,12,13,14)
InChIKeyFVYBNHSJOKQZLD-UHFFFAOYSA-N
XLogP5.48
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.50
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate?
The IUPAC name of bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate (CID 23133190) is bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate.
What is the SMILES notation for bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate?
The canonical SMILES for bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate is O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate?
The InChIKey is FVYBNHSJOKQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S.C6HF5O3S/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h1-13H,(H-,19,20);(H,12,13,14).
What are the key properties of bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate?
bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate has a molecular weight of 542.50 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate is sourced from PubChem (CID 23133190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).