ethenyl ethenesulfonate

C4H6O3S — CID 22006044

IUPACethenyl ethenesulfonate
SMILESC=COS(=O)(=O)C=C
InChIInChI=1S/C4H6O3S/c1-3-7-8(5,6)4-2/h3-4H,1-2H2
InChIKeyAEOQMMHATQYSLZ-UHFFFAOYSA-N
MW134.16 g/mol
LogP0.62
Rot. Bonds3

About ethenyl ethenesulfonate

ethenyl ethenesulfonate (PubChem CID 22006044) has the molecular formula C4H6O3S and a molecular weight of 134.16 g/mol. Its IUPAC name is ethenyl ethenesulfonate.

Molecular Properties

Compound Nameethenyl ethenesulfonate
PubChem CID22006044
Molecular FormulaC4H6O3S
Molecular Weight134.16 g/mol
Exact Mass134.00
IUPAC Nameethenyl ethenesulfonate
SMILESC=COS(=O)(=O)C=C
InChIInChI=1S/C4H6O3S/c1-3-7-8(5,6)4-2/h3-4H,1-2H2
InChIKeyAEOQMMHATQYSLZ-UHFFFAOYSA-N
XLogP0.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl ethenesulfonate?
The IUPAC name of ethenyl ethenesulfonate (CID 22006044) is ethenyl ethenesulfonate.
What is the SMILES notation for ethenyl ethenesulfonate?
The canonical SMILES for ethenyl ethenesulfonate is C=COS(=O)(=O)C=C.
What is the InChIKey of ethenyl ethenesulfonate?
The InChIKey is AEOQMMHATQYSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3S/c1-3-7-8(5,6)4-2/h3-4H,1-2H2.
What are the key properties of ethenyl ethenesulfonate?
ethenyl ethenesulfonate has a molecular weight of 134.16 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl ethenesulfonate is sourced from PubChem (CID 22006044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).