[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium

C20H24O2S2+2 — CID 3251030

IUPAC[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium
SMILESC[S+](C)CC(=O)c1ccc(-c2ccc(C(=O)C[S+](C)C)cc2)cc1
InChIInChI=1S/C20H24O2S2/c1-23(2)13-19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14-24(3)4/h5-12H,13-14H2,1-4H3/q+2
InChIKeyYSUANYQFOUIBDK-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.47
Rot. Bonds7

About [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium

[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium (PubChem CID 3251030) has the molecular formula C20H24O2S2+2 and a molecular weight of 360.54 g/mol. Its IUPAC name is [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium.

Molecular Properties

Compound Name[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium
PubChem CID3251030
Molecular FormulaC20H24O2S2+2
Molecular Weight360.54 g/mol
Exact Mass360.12
IUPAC Name[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium
SMILESC[S+](C)CC(=O)c1ccc(-c2ccc(C(=O)C[S+](C)C)cc2)cc1
InChIInChI=1S/C20H24O2S2/c1-23(2)13-19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14-24(3)4/h5-12H,13-14H2,1-4H3/q+2
InChIKeyYSUANYQFOUIBDK-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.47
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

[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium bromide
CID 87971438
dimethyl(phenacyl)sulfanium tetrafluoroborate
CID 2737123
dimethyl-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]sulfanium
CID 139727794
[2-(4-fluorophenyl)-2-oxoethyl]-dimethylsulfanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139727329
(2-anthracen-2-yl-2-oxoethyl)-dimethylsulfanium
CID 58905985
dimethyl(phenacyl)sulfanium;ethynyl(triphenyl)boranuide
CID 18982348
1-[4-(4-bromophenyl)phenyl]-2-hydroxyethanone
CID 123191704
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
triethyl-[2-oxo-2-[4-[4-[2-(triethylazaniumyl)acetyl]phenyl]phenyl]ethyl]azanium
CID 90476113
[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxoethyl]-dimethylsulfanium
CID 59664419

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium?
The IUPAC name of [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium (CID 3251030) is [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium.
What is the SMILES notation for [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium?
The canonical SMILES for [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium is C[S+](C)CC(=O)c1ccc(-c2ccc(C(=O)C[S+](C)C)cc2)cc1.
What is the InChIKey of [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium?
The InChIKey is YSUANYQFOUIBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2S2/c1-23(2)13-19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14-24(3)4/h5-12H,13-14H2,1-4H3/q+2.
What are the key properties of [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium?
[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium has a molecular weight of 360.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium is sourced from PubChem (CID 3251030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).