(2,3-diethylphenyl)-diphenylsulfanium

C22H23S+ — CID 22057527

IUPAC(2,3-diethylphenyl)-diphenylsulfanium
SMILESCCc1cccc([S+](c2ccccc2)c2ccccc2)c1CC
InChIInChI=1S/C22H23S/c1-3-18-12-11-17-22(21(18)4-2)23(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-17H,3-4H2,1-2H3/q+1
InChIKeyLHVPBFMHFJJZRO-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.91
Rot. Bonds5

About (2,3-diethylphenyl)-diphenylsulfanium

(2,3-diethylphenyl)-diphenylsulfanium (PubChem CID 22057527) has the molecular formula C22H23S+ and a molecular weight of 319.49 g/mol. Its IUPAC name is (2,3-diethylphenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(2,3-diethylphenyl)-diphenylsulfanium
PubChem CID22057527
Molecular FormulaC22H23S+
Molecular Weight319.49 g/mol
Exact Mass319.15
IUPAC Name(2,3-diethylphenyl)-diphenylsulfanium
SMILESCCc1cccc([S+](c2ccccc2)c2ccccc2)c1CC
InChIInChI=1S/C22H23S/c1-3-18-12-11-17-22(21(18)4-2)23(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-17H,3-4H2,1-2H3/q+1
InChIKeyLHVPBFMHFJJZRO-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylphenyl)-dimethylsulfanium
CID 19799696
1,3-diethyl-2-(2-phenylethyl)benzene
CID 14325369
1,2-diethylbenzene;hydrobromide
CID 174973685
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
(2-tert-butylphenyl)-diphenylsulfanium bromide
CID 86667399
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
1,2-diethyl-3-phenylbenzene;oxalonitrile
CID 174716651
carbonic acid;1,2-diethylbenzene
CID 89388803
1-(3-chloropentan-3-yl)-2,3-diethylbenzene
CID 140983253
2-(aminomethyl)-3-ethylphenol
CID 21467751
(2,3-diethylphenyl)-phenoxyphosphane
CID 69050696

Frequently Asked Questions

What is the IUPAC name of (2,3-diethylphenyl)-diphenylsulfanium?
The IUPAC name of (2,3-diethylphenyl)-diphenylsulfanium (CID 22057527) is (2,3-diethylphenyl)-diphenylsulfanium.
What is the SMILES notation for (2,3-diethylphenyl)-diphenylsulfanium?
The canonical SMILES for (2,3-diethylphenyl)-diphenylsulfanium is CCc1cccc([S+](c2ccccc2)c2ccccc2)c1CC.
What is the InChIKey of (2,3-diethylphenyl)-diphenylsulfanium?
The InChIKey is LHVPBFMHFJJZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23S/c1-3-18-12-11-17-22(21(18)4-2)23(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-17H,3-4H2,1-2H3/q+1.
What are the key properties of (2,3-diethylphenyl)-diphenylsulfanium?
(2,3-diethylphenyl)-diphenylsulfanium has a molecular weight of 319.49 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethylphenyl)-diphenylsulfanium is sourced from PubChem (CID 22057527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).