(4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium

C21H22FSSi+ — CID 177286387

IUPAC(4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium
SMILESC[Si](C)(C)c1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FSSi/c1-24(2,3)21-15-13-20(14-16-21)23(18-7-5-4-6-8-18)19-11-9-17(22)10-12-19/h4-16H,1-3H3/q+1
InChIKeyTYSSIRAARJVRKK-UHFFFAOYSA-N
MW353.56 g/mol
LogP5.47
Rot. Bonds4

About (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium

(4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium (PubChem CID 177286387) has the molecular formula C21H22FSSi+ and a molecular weight of 353.56 g/mol. Its IUPAC name is (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium.

Molecular Properties

Compound Name(4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium
PubChem CID177286387
Molecular FormulaC21H22FSSi+
Molecular Weight353.56 g/mol
Exact Mass353.12
IUPAC Name(4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium
SMILESC[Si](C)(C)c1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FSSi/c1-24(2,3)21-15-13-20(14-16-21)23(18-7-5-4-6-8-18)19-11-9-17(22)10-12-19/h4-16H,1-3H3/q+1
InChIKeyTYSSIRAARJVRKK-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.56
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-diphenylsulfanium
CID 3497654
bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate
CID 23133077
(4-fluorophenyl)-diphenylsulfanium;propanoate
CID 159057475
(4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium
CID 59733796
tetramethylsilane;trimethyl(phenyl)silane
CID 161005748
(4-tert-butylphenyl)-bis(4-fluorophenyl)sulfanium
CID 87944098
magnesium;trimethyl(phenyl)silane;dibromide
CID 175580992
[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293793
bis(3,5-dimethylphenyl)-(4-fluorophenyl)sulfanium bromide
CID 131733660
(4-tert-butylphenyl)-diphenylsulfanium;4-fluorobenzoate
CID 87756598
bis(4-fluorophenyl)-phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 23132932
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium?
The IUPAC name of (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium (CID 177286387) is (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium.
What is the SMILES notation for (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium?
The canonical SMILES for (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium is C[Si](C)(C)c1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium?
The InChIKey is TYSSIRAARJVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FSSi/c1-24(2,3)21-15-13-20(14-16-21)23(18-7-5-4-6-8-18)19-11-9-17(22)10-12-19/h4-16H,1-3H3/q+1.
What are the key properties of (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium?
(4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium has a molecular weight of 353.56 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium is sourced from PubChem (CID 177286387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).