ethenyl prop-2-ene-1-sulfonate

C5H8O3S — CID 59566544

IUPACethenyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OC=C
InChIInChI=1S/C5H8O3S/c1-3-5-9(6,7)8-4-2/h3-4H,1-2,5H2
InChIKeyVNQQPSJMTGHXCF-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.66
Rot. Bonds4

About ethenyl prop-2-ene-1-sulfonate

ethenyl prop-2-ene-1-sulfonate (PubChem CID 59566544) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is ethenyl prop-2-ene-1-sulfonate.

Molecular Properties

Compound Nameethenyl prop-2-ene-1-sulfonate
PubChem CID59566544
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Nameethenyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OC=C
InChIInChI=1S/C5H8O3S/c1-3-5-9(6,7)8-4-2/h3-4H,1-2,5H2
InChIKeyVNQQPSJMTGHXCF-UHFFFAOYSA-N
XLogP0.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 prop-2-ene-1-sulfonate?
The IUPAC name of ethenyl prop-2-ene-1-sulfonate (CID 59566544) is ethenyl prop-2-ene-1-sulfonate.
What is the SMILES notation for ethenyl prop-2-ene-1-sulfonate?
The canonical SMILES for ethenyl prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OC=C.
What is the InChIKey of ethenyl prop-2-ene-1-sulfonate?
The InChIKey is VNQQPSJMTGHXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-3-5-9(6,7)8-4-2/h3-4H,1-2,5H2.
What are the key properties of ethenyl prop-2-ene-1-sulfonate?
ethenyl prop-2-ene-1-sulfonate has a molecular weight of 148.18 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl prop-2-ene-1-sulfonate is sourced from PubChem (CID 59566544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).