ethenyl(dimethyl)sulfanium

C4H9S+ — CID 10952891

IUPACethenyl(dimethyl)sulfanium
SMILESC=C[S+](C)C
InChIInChI=1S/C4H9S/c1-4-5(2)3/h4H,1H2,2-3H3/q+1
InChIKeyHFLNSSFAGOCVHF-UHFFFAOYSA-N
MW89.18 g/mol
LogP1.01
Rot. Bonds1

About ethenyl(dimethyl)sulfanium

ethenyl(dimethyl)sulfanium (PubChem CID 10952891) has the molecular formula C4H9S+ and a molecular weight of 89.18 g/mol. Its IUPAC name is ethenyl(dimethyl)sulfanium.

Molecular Properties

Compound Nameethenyl(dimethyl)sulfanium
PubChem CID10952891
Molecular FormulaC4H9S+
Molecular Weight89.18 g/mol
Exact Mass89.04
IUPAC Nameethenyl(dimethyl)sulfanium
SMILESC=C[S+](C)C
InChIInChI=1S/C4H9S/c1-4-5(2)3/h4H,1H2,2-3H3/q+1
InChIKeyHFLNSSFAGOCVHF-UHFFFAOYSA-N
XLogP1.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.18
LogP ≤ 51.01
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 ethenyl(dimethyl)sulfanium?
The IUPAC name of ethenyl(dimethyl)sulfanium (CID 10952891) is ethenyl(dimethyl)sulfanium.
What is the SMILES notation for ethenyl(dimethyl)sulfanium?
The canonical SMILES for ethenyl(dimethyl)sulfanium is C=C[S+](C)C.
What is the InChIKey of ethenyl(dimethyl)sulfanium?
The InChIKey is HFLNSSFAGOCVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9S/c1-4-5(2)3/h4H,1H2,2-3H3/q+1.
What are the key properties of ethenyl(dimethyl)sulfanium?
ethenyl(dimethyl)sulfanium has a molecular weight of 89.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(dimethyl)sulfanium is sourced from PubChem (CID 10952891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).