methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium

C8H8F3O3S2+ — CID 138979005

IUPACmethyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium
SMILESC[S+](OS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C8H8F3O3S2/c1-15(7-5-3-2-4-6-7)14-16(12,13)8(9,10)11/h2-6H,1H3/q+1
InChIKeyAPCUNHWPIQSGPW-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.07
Rot. Bonds3

About methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium

methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium (PubChem CID 138979005) has the molecular formula C8H8F3O3S2+ and a molecular weight of 273.28 g/mol. Its IUPAC name is methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium.

Molecular Properties

Compound Namemethyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium
PubChem CID138979005
Molecular FormulaC8H8F3O3S2+
Molecular Weight273.28 g/mol
Exact Mass272.99
IUPAC Namemethyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium
SMILESC[S+](OS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C8H8F3O3S2/c1-15(7-5-3-2-4-6-7)14-16(12,13)8(9,10)11/h2-6H,1H3/q+1
InChIKeyAPCUNHWPIQSGPW-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
(Ethylsulphonyl)benzene
CID 69032
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476
1-Fluoro-4-(methylsulphonyl)benzene
CID 67994
Methoxymethyl Phenyl Sulfone
CID 366072
1-Fluoro-2-methanesulfonylbenzene
CID 2778243
Phenyl t-butyl sulfone
CID 138142

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium?
The IUPAC name of methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium (CID 138979005) is methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium.
What is the SMILES notation for methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium?
The canonical SMILES for methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium is C[S+](OS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium?
The InChIKey is APCUNHWPIQSGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3O3S2/c1-15(7-5-3-2-4-6-7)14-16(12,13)8(9,10)11/h2-6H,1H3/q+1.
What are the key properties of methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium?
methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium has a molecular weight of 273.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-(trifluoromethylsulfonyloxy)sulfanium is sourced from PubChem (CID 138979005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).