dimethylsulfoxonium

C2H7OS+ — CID 22345572

IUPAC—
SMILESC[SH+](C)=O
InChIInChI=1S/C2H6OS/c1-4(2)3/h1-2H3/p+1
InChIKeyIAZDPXIOMUYVGZ-UHFFFAOYSA-O
MW79.14 g/mol
LogP-0.06
Rot. Bonds

About dimethylsulfoxonium

dimethylsulfoxonium (PubChem CID 22345572) has the molecular formula C2H7OS+ and a molecular weight of 79.14 g/mol.

Molecular Properties

Compound Namedimethylsulfoxonium
PubChem CID22345572
Molecular FormulaC2H7OS+
Molecular Weight79.14 g/mol
Exact Mass79.02
IUPAC Name—
SMILESC[SH+](C)=O
InChIInChI=1S/C2H6OS/c1-4(2)3/h1-2H3/p+1
InChIKeyIAZDPXIOMUYVGZ-UHFFFAOYSA-O
XLogP-0.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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potassium;hydride;hydroxy(oxo)tungsten;ytterbium
CID 173190997
2,2-dimethylpropanoic acid
CID 87781698
disodium;sulfanide;acetate
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CID 54243530
2,2-diamino-3-methyl-4-oxopentanoic acid
CID 23065100
1-[(S)-methylsulfinyl]ethene
CID 12645971
2,2-dimethylpropanoic acid;lanthanum
CID 160817860

Frequently Asked Questions

What is the IUPAC name of dimethylsulfoxonium?
The IUPAC name of dimethylsulfoxonium (CID 22345572) is not available.
What is the SMILES notation for dimethylsulfoxonium?
The canonical SMILES for dimethylsulfoxonium is C[SH+](C)=O.
What is the InChIKey of dimethylsulfoxonium?
The InChIKey is IAZDPXIOMUYVGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/p+1.
What are the key properties of dimethylsulfoxonium?
dimethylsulfoxonium has a molecular weight of 79.14 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsulfoxonium is sourced from PubChem (CID 22345572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).