dimethyl(oxiran-2-ylmethyl)sulfanium

C5H11OS+ — CID 87256403

IUPACdimethyl(oxiran-2-ylmethyl)sulfanium
SMILESC[S+](C)CC1CO1
InChIInChI=1S/C5H11OS/c1-7(2)4-5-3-6-5/h5H,3-4H2,1-2H3/q+1
InChIKeyIMZSJGJLWJSXEY-UHFFFAOYSA-N
MW119.21 g/mol
LogP0.26
Rot. Bonds2

About dimethyl(oxiran-2-ylmethyl)sulfanium

dimethyl(oxiran-2-ylmethyl)sulfanium (PubChem CID 87256403) has the molecular formula C5H11OS+ and a molecular weight of 119.21 g/mol. Its IUPAC name is dimethyl(oxiran-2-ylmethyl)sulfanium.

Molecular Properties

Compound Namedimethyl(oxiran-2-ylmethyl)sulfanium
PubChem CID87256403
Molecular FormulaC5H11OS+
Molecular Weight119.21 g/mol
Exact Mass119.05
IUPAC Namedimethyl(oxiran-2-ylmethyl)sulfanium
SMILESC[S+](C)CC1CO1
InChIInChI=1S/C5H11OS/c1-7(2)4-5-3-6-5/h5H,3-4H2,1-2H3/q+1
InChIKeyIMZSJGJLWJSXEY-UHFFFAOYSA-N
XLogP0.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 50.26
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(oxiran-2-ylmethyl)sulfanium?
The IUPAC name of dimethyl(oxiran-2-ylmethyl)sulfanium (CID 87256403) is dimethyl(oxiran-2-ylmethyl)sulfanium.
What is the SMILES notation for dimethyl(oxiran-2-ylmethyl)sulfanium?
The canonical SMILES for dimethyl(oxiran-2-ylmethyl)sulfanium is C[S+](C)CC1CO1.
What is the InChIKey of dimethyl(oxiran-2-ylmethyl)sulfanium?
The InChIKey is IMZSJGJLWJSXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OS/c1-7(2)4-5-3-6-5/h5H,3-4H2,1-2H3/q+1.
What are the key properties of dimethyl(oxiran-2-ylmethyl)sulfanium?
dimethyl(oxiran-2-ylmethyl)sulfanium has a molecular weight of 119.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(oxiran-2-ylmethyl)sulfanium is sourced from PubChem (CID 87256403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).