dimethylsulfoniomethyl(dimethyl)sulfanium

C5H14S2+2 — CID 4579760

IUPACdimethylsulfoniomethyl(dimethyl)sulfanium
SMILESC[S+](C)C[S+](C)C
InChIInChI=1S/C5H14S2/c1-6(2)5-7(3)4/h5H2,1-4H3/q+2
InChIKeyFOSQUCMBCQENDB-UHFFFAOYSA-N
MW138.30 g/mol
LogP0.70
Rot. Bonds2

About dimethylsulfoniomethyl(dimethyl)sulfanium

dimethylsulfoniomethyl(dimethyl)sulfanium (PubChem CID 4579760) has the molecular formula C5H14S2+2 and a molecular weight of 138.30 g/mol. Its IUPAC name is dimethylsulfoniomethyl(dimethyl)sulfanium.

Molecular Properties

Compound Namedimethylsulfoniomethyl(dimethyl)sulfanium
PubChem CID4579760
Molecular FormulaC5H14S2+2
Molecular Weight138.30 g/mol
Exact Mass138.05
IUPAC Namedimethylsulfoniomethyl(dimethyl)sulfanium
SMILESC[S+](C)C[S+](C)C
InChIInChI=1S/C5H14S2/c1-6(2)5-7(3)4/h5H2,1-4H3/q+2
InChIKeyFOSQUCMBCQENDB-UHFFFAOYSA-N
XLogP0.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.30
LogP ≤ 50.70
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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Frequently Asked Questions

What is the IUPAC name of dimethylsulfoniomethyl(dimethyl)sulfanium?
The IUPAC name of dimethylsulfoniomethyl(dimethyl)sulfanium (CID 4579760) is dimethylsulfoniomethyl(dimethyl)sulfanium.
What is the SMILES notation for dimethylsulfoniomethyl(dimethyl)sulfanium?
The canonical SMILES for dimethylsulfoniomethyl(dimethyl)sulfanium is C[S+](C)C[S+](C)C.
What is the InChIKey of dimethylsulfoniomethyl(dimethyl)sulfanium?
The InChIKey is FOSQUCMBCQENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14S2/c1-6(2)5-7(3)4/h5H2,1-4H3/q+2.
What are the key properties of dimethylsulfoniomethyl(dimethyl)sulfanium?
dimethylsulfoniomethyl(dimethyl)sulfanium has a molecular weight of 138.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsulfoniomethyl(dimethyl)sulfanium is sourced from PubChem (CID 4579760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).