[4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium

C23H24NO2S+ — CID 58491353

IUPAC[4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium
SMILESCN(C)CC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24NO2S/c1-24(2)17-19(25)18-26-20-13-15-23(16-14-20)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3/q+1
InChIKeyPHFRGPXYKZLOSY-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.29
Rot. Bonds8

About [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium

[4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium (PubChem CID 58491353) has the molecular formula C23H24NO2S+ and a molecular weight of 378.52 g/mol. Its IUPAC name is [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium
PubChem CID58491353
Molecular FormulaC23H24NO2S+
Molecular Weight378.52 g/mol
Exact Mass378.15
IUPAC Name[4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium
SMILESCN(C)CC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24NO2S/c1-24(2)17-19(25)18-26-20-13-15-23(16-14-20)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3/q+1
InChIKeyPHFRGPXYKZLOSY-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
[4-[2-[2-(2-bromopropanoyloxy)ethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 156684081
[3-(dimethylamino)phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22290230
[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 59602382
[4-(dimethylamino)phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 18381187
[4-[2-oxo-2-(2,3,4,6-tetrafluoro-5-iodophenoxy)ethoxy]phenyl]-diphenylsulfanium
CID 147276333
[4-[2-[4-(4-fluorophenyl)-2-methylbut-3-yn-2-yl]oxy-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 169051441
(3-methoxyphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22901762
diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-phenoxyphenyl)-diphenylsulfanium
CID 160777188
1-(4-phenylphenoxy)butan-2-one
CID 62041258
diphenyl-(4-undecoxyphenyl)sulfanium acetate
CID 162330387
bis[4-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phenyl]-phenylsulfanium
CID 59503276

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium?
The IUPAC name of [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium (CID 58491353) is [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium is CN(C)CC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium?
The InChIKey is PHFRGPXYKZLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO2S/c1-24(2)17-19(25)18-26-20-13-15-23(16-14-20)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3/q+1.
What are the key properties of [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium?
[4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium has a molecular weight of 378.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)-2-oxopropoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 58491353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).