[iodo(dimethyl)-λ4-sulfanyl]oxidanium

C2H8IOS+ — CID 138970270

IUPAC[iodo(dimethyl)-λ4-sulfanyl]oxidanium
SMILESCS(C)([OH2+])I
InChIInChI=1S/C2H7IOS/c1-5(2,3)4/h4H,1-2H3/p+1
InChIKeyDPUDBFNCVRBTFR-UHFFFAOYSA-O
MW207.06 g/mol
LogP1.04
Rot. Bonds

About [iodo(dimethyl)-λ4-sulfanyl]oxidanium

[iodo(dimethyl)-λ4-sulfanyl]oxidanium (PubChem CID 138970270) has the molecular formula C2H8IOS+ and a molecular weight of 207.06 g/mol. Its IUPAC name is [iodo(dimethyl)-λ4-sulfanyl]oxidanium.

Molecular Properties

Compound Name[iodo(dimethyl)-λ4-sulfanyl]oxidanium
PubChem CID138970270
Molecular FormulaC2H8IOS+
Molecular Weight207.06 g/mol
Exact Mass206.93
IUPAC Name[iodo(dimethyl)-λ4-sulfanyl]oxidanium
SMILESCS(C)([OH2+])I
InChIInChI=1S/C2H7IOS/c1-5(2,3)4/h4H,1-2H3/p+1
InChIKeyDPUDBFNCVRBTFR-UHFFFAOYSA-O
XLogP1.04
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.04
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 [iodo(dimethyl)-λ4-sulfanyl]oxidanium?
The IUPAC name of [iodo(dimethyl)-λ4-sulfanyl]oxidanium (CID 138970270) is [iodo(dimethyl)-λ4-sulfanyl]oxidanium.
What is the SMILES notation for [iodo(dimethyl)-λ4-sulfanyl]oxidanium?
The canonical SMILES for [iodo(dimethyl)-λ4-sulfanyl]oxidanium is CS(C)([OH2+])I.
What is the InChIKey of [iodo(dimethyl)-λ4-sulfanyl]oxidanium?
The InChIKey is DPUDBFNCVRBTFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7IOS/c1-5(2,3)4/h4H,1-2H3/p+1.
What are the key properties of [iodo(dimethyl)-λ4-sulfanyl]oxidanium?
[iodo(dimethyl)-λ4-sulfanyl]oxidanium has a molecular weight of 207.06 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [iodo(dimethyl)-λ4-sulfanyl]oxidanium is sourced from PubChem (CID 138970270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).