diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate

C17H21F3O3S2Si — CID 10884343

IUPACdiphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate
SMILESC[Si](C)(C)C[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C16H21SSi.CHF3O3S/c1-18(2,3)14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;2-1(3,4)8(5,6)7/h4-13H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyNSOURYPBPNJAHU-UHFFFAOYSA-M
MW422.57 g/mol
LogP4.65
Rot. Bonds4

About diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate

diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate (PubChem CID 10884343) has the molecular formula C17H21F3O3S2Si and a molecular weight of 422.57 g/mol. Its IUPAC name is diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namediphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate
PubChem CID10884343
Molecular FormulaC17H21F3O3S2Si
Molecular Weight422.57 g/mol
Exact Mass422.07
IUPAC Namediphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate
SMILESC[Si](C)(C)C[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C16H21SSi.CHF3O3S/c1-18(2,3)14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;2-1(3,4)8(5,6)7/h4-13H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyNSOURYPBPNJAHU-UHFFFAOYSA-M
XLogP4.65
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.65
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Sulfonium, triphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CID 11729320
Triphenylsulfonium nonafluorobutanesulfonate
CID 16216936
Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
(2-Bromoethyl)diphenylsulfonium Trifluoromethanesulfonate
CID 25193077
1,1'-(2-Butene-1,2-diyldisulfonyl)dibenzene
CID 886377
Diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate
CID 18401167
(4-Fluorophenyl)diphenylsulfonium triflate
CID 16213837
4-(Benzenesulfonyl)but-2-enylsulfonylbenzene
CID 228202
((1-(Phenylsulfonyl)butyl)sulfonyl)benzene
CID 363330
Trifluoromethanesulfonic acid;triphenylsulfanium
CID 6455229
Dimethyl(phenyl)sulfonium nonafluorobutane-1-sulfonate
CID 22625545

Frequently Asked Questions

What is the IUPAC name of diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate?
The IUPAC name of diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate (CID 10884343) is diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate.
What is the SMILES notation for diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate?
The canonical SMILES for diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate is C[Si](C)(C)C[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate?
The InChIKey is NSOURYPBPNJAHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21SSi.CHF3O3S/c1-18(2,3)14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;2-1(3,4)8(5,6)7/h4-13H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate?
diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate has a molecular weight of 422.57 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate is sourced from PubChem (CID 10884343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).