bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)

C15H18F6O6PS3Sb — CID 175116621

IUPACbis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)
SMILESCOS(=O)(=O)c1ccccc1[PH+](SC)c1ccccc1S(=O)(=O)OC.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C15H17O6PS3.6FH.Sb/c1-20-24(16,17)14-10-6-4-8-12(14)22(23-3)13-9-5-7-11-15(13)25(18,19)21-2;;;;;;;/h4-11H,1-3H3;6*1H;/q;;;;;;;+5/p-5
InChIKeyCEORSJYMPOKQEI-UHFFFAOYSA-I
MW657.23 g/mol
LogP3.94
Rot. Bonds7

About bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)

bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-) (PubChem CID 175116621) has the molecular formula C15H18F6O6PS3Sb and a molecular weight of 657.23 g/mol. Its IUPAC name is bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-).

Molecular Properties

Compound Namebis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)
PubChem CID175116621
Molecular FormulaC15H18F6O6PS3Sb
Molecular Weight657.23 g/mol
Exact Mass655.89
IUPAC Namebis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)
SMILESCOS(=O)(=O)c1ccccc1[PH+](SC)c1ccccc1S(=O)(=O)OC.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C15H17O6PS3.6FH.Sb/c1-20-24(16,17)14-10-6-4-8-12(14)22(23-3)13-9-5-7-11-15(13)25(18,19)21-2;;;;;;;/h4-11H,1-3H3;6*1H;/q;;;;;;;+5/p-5
InChIKeyCEORSJYMPOKQEI-UHFFFAOYSA-I
XLogP3.94
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

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methyl 4-fluoro-2-methylbenzenesulfonate
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methyl 2-(diethoxyphosphorylmethyl)benzenesulfonate
CID 156768430
methyl 2-chloro-4-fluorobenzenesulfonate
CID 89056291
dimethyl benzene-1,3-disulfonate
CID 19918774
methyl 6-imino-5-oxonaphthalene-1-sulfonate
CID 130439649
methyl 4-methylbenzenesulfonate;hydrofluoride
CID 158630886
methyl 4-methylbenzenesulfonate;phosphane
CID 87524862
methyl 4-methylbenzenesulfonate;zinc
CID 174756808

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)?
The IUPAC name of bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-) (CID 175116621) is bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-).
What is the SMILES notation for bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)?
The canonical SMILES for bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-) is COS(=O)(=O)c1ccccc1[PH+](SC)c1ccccc1S(=O)(=O)OC.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)?
The InChIKey is CEORSJYMPOKQEI-UHFFFAOYSA-I. The full InChI is InChI=1S/C15H17O6PS3.6FH.Sb/c1-20-24(16,17)14-10-6-4-8-12(14)22(23-3)13-9-5-7-11-15(13)25(18,19)21-2;;;;;;;/h4-11H,1-3H3;6*1H;/q;;;;;;;+5/p-5.
What are the key properties of bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-)?
bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-) has a molecular weight of 657.23 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxysulfonylphenyl)-methylsulfanylphosphanium;hexafluoroantimony(1-) is sourced from PubChem (CID 175116621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).