[hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium

C24H25F4O4S2+ — CID 123878744

IUPAC[hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium
SMILESO=S(O)(=[O+]S(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C24H24F4O4S2/c25-23(26,18-10-11-19-29)24(27,28)34(30,31)32-33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,29H,10-11,18-19H2/p+1
InChIKeyCYTXFNBPIZRDGF-UHFFFAOYSA-O
MW517.59 g/mol
LogP6.91
Rot. Bonds10

About [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium

[hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium (PubChem CID 123878744) has the molecular formula C24H25F4O4S2+ and a molecular weight of 517.59 g/mol. Its IUPAC name is [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium.

Molecular Properties

Compound Name[hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium
PubChem CID123878744
Molecular FormulaC24H25F4O4S2+
Molecular Weight517.59 g/mol
Exact Mass517.11
IUPAC Name[hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium
SMILESO=S(O)(=[O+]S(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C24H24F4O4S2/c25-23(26,18-10-11-19-29)24(27,28)34(30,31)32-33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,29H,10-11,18-19H2/p+1
InChIKeyCYTXFNBPIZRDGF-UHFFFAOYSA-O
XLogP6.91
TPSA68.83 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium with MolForge

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Related Compounds

12,12-Difluoro-12-(phenylsulfonyl)dodecan-1-ol
CID 163297686
1,1-Bis(benzenesulfonyl)-1-fluoroheptan-3-ol
CID 16081815
1,1,2,2,3,3-Hexafluoropropane-1-sulfonic acid;triphenylsulfanium
CID 22373929
Trifluoromethylsulfonyl-(triphenyl-lambda4-sulfanyl)oxidanium
CID 56991735
1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl-(triphenyl-lambda4-sulfanyl)oxidanium
CID 57030767
[(1,1-Difluoro-2-hydroxyethyl)-oxido-oxo-phenyl-lambda6-sulfanyl]oxy-diphenylsulfanium
CID 58112898
Triphenylsulfonium 1,1,2-trifluoro-2-(perfluoroethoxy)ethanesulfonate
CID 86609524
Triphenylsulfonium 2-hydroxy-1,1,3,3,3-pentafluoropropanesulfonate
CID 86612198
Triphenylsulfonium (8-hydroxyoctyloxycarbonyl)difluoromethanesulfonate
CID 86613395
Triphenylsulfonium 1,1-difluoro-2-hydroxyethanesulfonate
CID 86632756
Triphenylsulfonium 4-hydroxy-1,1,2,2-tetrafluorobutanesulfonate
CID 86639888
Triphenylsulfonium 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate
CID 86639891

Frequently Asked Questions

What is the IUPAC name of [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium?
The IUPAC name of [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium (CID 123878744) is [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium.
What is the SMILES notation for [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium?
The canonical SMILES for [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium is O=S(O)(=[O+]S(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCCO.
What is the InChIKey of [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium?
The InChIKey is CYTXFNBPIZRDGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24F4O4S2/c25-23(26,18-10-11-19-29)24(27,28)34(30,31)32-33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,29H,10-11,18-19H2/p+1.
What are the key properties of [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium?
[hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium has a molecular weight of 517.59 g/mol, XLogP of 6.91, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-oxo-(1,1,2,2-tetrafluoro-6-hydroxyhexyl)-λ6-sulfanylidene]-(triphenyl-λ4-sulfanyl)oxidanium is sourced from PubChem (CID 123878744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).