(trimethyl-λ4-sulfanyl)oxidanium iodide

C3H11IOS — CID 57417345

IUPAC(trimethyl-λ4-sulfanyl)oxidanium iodide
SMILESCS(C)(C)[OH2+].[I-]
InChIInChI=1S/C3H10OS.HI/c1-5(2,3)4;/h4H,1-3H3;1H
InChIKeyAWWLNEPNGGPYMR-UHFFFAOYSA-N
MW222.09 g/mol
LogP-2.68
Rot. Bonds

About (trimethyl-λ4-sulfanyl)oxidanium iodide

(trimethyl-λ4-sulfanyl)oxidanium iodide (PubChem CID 57417345) has the molecular formula C3H11IOS and a molecular weight of 222.09 g/mol. Its IUPAC name is (trimethyl-λ4-sulfanyl)oxidanium iodide.

Molecular Properties

Compound Name(trimethyl-λ4-sulfanyl)oxidanium iodide
PubChem CID57417345
Molecular FormulaC3H11IOS
Molecular Weight222.09 g/mol
Exact Mass221.96
IUPAC Name(trimethyl-λ4-sulfanyl)oxidanium iodide
SMILESCS(C)(C)[OH2+].[I-]
InChIInChI=1S/C3H10OS.HI/c1-5(2,3)4;/h4H,1-3H3;1H
InChIKeyAWWLNEPNGGPYMR-UHFFFAOYSA-N
XLogP-2.68
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 5-2.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (trimethyl-λ4-sulfanyl)oxidanium iodide?
The IUPAC name of (trimethyl-λ4-sulfanyl)oxidanium iodide (CID 57417345) is (trimethyl-λ4-sulfanyl)oxidanium iodide.
What is the SMILES notation for (trimethyl-λ4-sulfanyl)oxidanium iodide?
The canonical SMILES for (trimethyl-λ4-sulfanyl)oxidanium iodide is CS(C)(C)[OH2+].[I-].
What is the InChIKey of (trimethyl-λ4-sulfanyl)oxidanium iodide?
The InChIKey is AWWLNEPNGGPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10OS.HI/c1-5(2,3)4;/h4H,1-3H3;1H.
What are the key properties of (trimethyl-λ4-sulfanyl)oxidanium iodide?
(trimethyl-λ4-sulfanyl)oxidanium iodide has a molecular weight of 222.09 g/mol, XLogP of -2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (trimethyl-λ4-sulfanyl)oxidanium iodide is sourced from PubChem (CID 57417345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).