(4-dimethylsulfoniophenyl)-dimethylsulfanium

C10H16S2+2 — CID 2751903

IUPAC(4-dimethylsulfoniophenyl)-dimethylsulfanium
SMILESC[S+](C)c1ccc([S+](C)C)cc1
InChIInChI=1S/C10H16S2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3/q+2
InChIKeyWYJAFCCFLITBBM-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.16
Rot. Bonds2

About (4-dimethylsulfoniophenyl)-dimethylsulfanium

(4-dimethylsulfoniophenyl)-dimethylsulfanium (PubChem CID 2751903) has the molecular formula C10H16S2+2 and a molecular weight of 200.37 g/mol. Its IUPAC name is (4-dimethylsulfoniophenyl)-dimethylsulfanium.

Molecular Properties

Compound Name(4-dimethylsulfoniophenyl)-dimethylsulfanium
PubChem CID2751903
Molecular FormulaC10H16S2+2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name(4-dimethylsulfoniophenyl)-dimethylsulfanium
SMILESC[S+](C)c1ccc([S+](C)C)cc1
InChIInChI=1S/C10H16S2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3/q+2
InChIKeyWYJAFCCFLITBBM-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.16
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

(4-benzylphenyl)-dimethylsulfanium
CID 160994584
dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium
CID 175896101
(4-hydroxyphenyl)-dimethylsulfanium;methanesulfonate
CID 159079015
dimethyl(phenyl)sulfanium;methanesulfonate
CID 158678678
dimethyl(phenyl)sulfanium;hydron;sulfate
CID 23149376
benzenesulfonate;dimethyl(phenyl)sulfanium
CID 87671613
methanesulfonoperoxoate;(4-methoxyphenyl)-dimethylsulfanium
CID 159375698
(4-acetyloxyphenyl)-dimethylsulfanium hexafluorophosphate
CID 23024554
[4-(2-acetamidoacetyl)oxyphenyl]-dimethylsulfanium
CID 101017921
amino-methyl-(4-methylphenyl)sulfanium
CID 176964394
dimethyl-[4-(2-methyl-2-piperidin-1-ium-1-ylpropanoyl)phenyl]sulfanium
CID 140787087
methyl-bis[4-(4-methylphenyl)phenyl]sulfanium
CID 88553212

Frequently Asked Questions

What is the IUPAC name of (4-dimethylsulfoniophenyl)-dimethylsulfanium?
The IUPAC name of (4-dimethylsulfoniophenyl)-dimethylsulfanium (CID 2751903) is (4-dimethylsulfoniophenyl)-dimethylsulfanium.
What is the SMILES notation for (4-dimethylsulfoniophenyl)-dimethylsulfanium?
The canonical SMILES for (4-dimethylsulfoniophenyl)-dimethylsulfanium is C[S+](C)c1ccc([S+](C)C)cc1.
What is the InChIKey of (4-dimethylsulfoniophenyl)-dimethylsulfanium?
The InChIKey is WYJAFCCFLITBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3/q+2.
What are the key properties of (4-dimethylsulfoniophenyl)-dimethylsulfanium?
(4-dimethylsulfoniophenyl)-dimethylsulfanium has a molecular weight of 200.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dimethylsulfoniophenyl)-dimethylsulfanium is sourced from PubChem (CID 2751903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).