bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium

C20H15F2O2S+ — CID 164747709

IUPACbis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium
SMILESCOC(=O)c1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15F2O2S/c1-24-20(23)14-2-8-17(9-3-14)25(18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19/h2-13H,1H3/q+1
InChIKeyHOMKPVLDXSPICP-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.85
Rot. Bonds4

About bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium

bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium (PubChem CID 164747709) has the molecular formula C20H15F2O2S+ and a molecular weight of 357.40 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium
PubChem CID164747709
Molecular FormulaC20H15F2O2S+
Molecular Weight357.40 g/mol
Exact Mass357.08
IUPAC Namebis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium
SMILESCOC(=O)c1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15F2O2S/c1-24-20(23)14-2-8-17(9-3-14)25(18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19/h2-13H,1H3/q+1
InChIKeyHOMKPVLDXSPICP-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 170307924
CID 170307924
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
(4-methoxycarbonylphenyl)-(4-methylphenyl)-phenylsulfanium
CID 164747030
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
bis(3-methoxycarbonylphenyl)-(4-methoxycarbonylphenyl)sulfanium
CID 171721845
methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate
CID 146166532
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
(3-methoxycarbonylphenyl)-(4-methoxycarbonylphenyl)-phenylsulfanium
CID 171721849
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
ethene;4-methoxycarbonylbenzenecarboperoxoic acid
CID 87669855
dimethyl 5-(4-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 8001456

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium?
The IUPAC name of bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium (CID 164747709) is bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium.
What is the SMILES notation for bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium is COC(=O)c1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium?
The InChIKey is HOMKPVLDXSPICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2O2S/c1-24-20(23)14-2-8-17(9-3-14)25(18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19/h2-13H,1H3/q+1.
What are the key properties of bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium?
bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium has a molecular weight of 357.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(4-methoxycarbonylphenyl)sulfanium is sourced from PubChem (CID 164747709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).