triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane

C19H15F3O3S2 — CID 20764887

IUPACtriphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane
SMILESFC(F)(F)OOOS(=S)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15F3O3S2/c20-19(21,22)23-24-25-27(26,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyRRHARPVJMJVWQC-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.63
Rot. Bonds6

About triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane

triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane (PubChem CID 20764887) has the molecular formula C19H15F3O3S2 and a molecular weight of 412.45 g/mol. Its IUPAC name is triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane.

Molecular Properties

Compound Nametriphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane
PubChem CID20764887
Molecular FormulaC19H15F3O3S2
Molecular Weight412.45 g/mol
Exact Mass412.04
IUPAC Nametriphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane
SMILESFC(F)(F)OOOS(=S)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15F3O3S2/c20-19(21,22)23-24-25-27(26,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyRRHARPVJMJVWQC-UHFFFAOYSA-N
XLogP5.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Sulfonium, triphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CID 11729320
Triphenylsulfonium nonafluorobutanesulfonate
CID 16216936
Sulfonium, triphenyl-, (OC-6-11)-hexafluoroantimonate(1-) (1:1)
CID 93820
Sulfonium, triphenyl-, hexafluoroarsenate(1-) (1:1)
CID 93839
1-Propene, 3,3,3-Trifluoro-1,1,2-tris(phenylthio)-
CID 616198
Diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate
CID 18401167
(4-Fluorophenyl)diphenylsulfonium triflate
CID 16213837
(4-Iodophenyl)diphenylsulfonium triflate
CID 16213840
Triphenylsulfonium
CID 61344
Trifluoromethanesulfonic acid;triphenylsulfanium
CID 6455229
Triphenylsulfanium tridecafluorohexane-1-sulfonate
CID 87123851
Diphenyl(4-iodophenyl)sulphonium triflate
CID 2782335

Frequently Asked Questions

What is the IUPAC name of triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane?
The IUPAC name of triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane (CID 20764887) is triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane.
What is the SMILES notation for triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane?
The canonical SMILES for triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane is FC(F)(F)OOOS(=S)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane?
The InChIKey is RRHARPVJMJVWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O3S2/c20-19(21,22)23-24-25-27(26,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane?
triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane has a molecular weight of 412.45 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-sulfanylidene-(trifluoromethoxyperoxy)-λ6-sulfane is sourced from PubChem (CID 20764887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).