ethenyl(dimethyl)sulfanium iodide

C4H9IS — CID 10987670

IUPACethenyl(dimethyl)sulfanium iodide
SMILESC=C[S+](C)C.[I-]
InChIInChI=1S/C4H9S.HI/c1-4-5(2)3;/h4H,1H2,2-3H3;1H/q+1;/p-1
InChIKeyPSCYAMOTUYRGBV-UHFFFAOYSA-M
MW216.09 g/mol
LogP-1.99
Rot. Bonds1

About ethenyl(dimethyl)sulfanium iodide

ethenyl(dimethyl)sulfanium iodide (PubChem CID 10987670) has the molecular formula C4H9IS and a molecular weight of 216.09 g/mol. Its IUPAC name is ethenyl(dimethyl)sulfanium iodide.

Molecular Properties

Compound Nameethenyl(dimethyl)sulfanium iodide
PubChem CID10987670
Molecular FormulaC4H9IS
Molecular Weight216.09 g/mol
Exact Mass215.95
IUPAC Nameethenyl(dimethyl)sulfanium iodide
SMILESC=C[S+](C)C.[I-]
InChIInChI=1S/C4H9S.HI/c1-4-5(2)3;/h4H,1H2,2-3H3;1H/q+1;/p-1
InChIKeyPSCYAMOTUYRGBV-UHFFFAOYSA-M
XLogP-1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.09
LogP ≤ 5-1.99
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 ethenyl(dimethyl)sulfanium iodide?
The IUPAC name of ethenyl(dimethyl)sulfanium iodide (CID 10987670) is ethenyl(dimethyl)sulfanium iodide.
What is the SMILES notation for ethenyl(dimethyl)sulfanium iodide?
The canonical SMILES for ethenyl(dimethyl)sulfanium iodide is C=C[S+](C)C.[I-].
What is the InChIKey of ethenyl(dimethyl)sulfanium iodide?
The InChIKey is PSCYAMOTUYRGBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9S.HI/c1-4-5(2)3;/h4H,1H2,2-3H3;1H/q+1;/p-1.
What are the key properties of ethenyl(dimethyl)sulfanium iodide?
ethenyl(dimethyl)sulfanium iodide has a molecular weight of 216.09 g/mol, XLogP of -1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(dimethyl)sulfanium iodide is sourced from PubChem (CID 10987670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).