potassium ethenesulfonate

C2H3KO3S — CID 23693598

IUPACpotassium ethenesulfonate
SMILESC=CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C2H4O3S.K/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
InChIKeyYLQIJFPHMPTBGU-UHFFFAOYSA-M
MW146.21 g/mol
LogP-3.32
Rot. Bonds1

About potassium ethenesulfonate

potassium ethenesulfonate (PubChem CID 23693598) has the molecular formula C2H3KO3S and a molecular weight of 146.21 g/mol. Its IUPAC name is potassium ethenesulfonate.

Molecular Properties

Compound Namepotassium ethenesulfonate
PubChem CID23693598
Molecular FormulaC2H3KO3S
Molecular Weight146.21 g/mol
Exact Mass145.94
IUPAC Namepotassium ethenesulfonate
SMILESC=CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C2H4O3S.K/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
InChIKeyYLQIJFPHMPTBGU-UHFFFAOYSA-M
XLogP-3.32
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-3.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethenesulfonate;rubidium(1+)
CID 140700043
ethenesulfonate;holmium(3+)
CID 163217157
but-3-enamide;ethenesulfonate
CID 86736729
disodium;buta-1,3-diene;sulfate
CID 175307386
sodium;ethenesulfonate;N-ethenylacetamide
CID 23715190
disodium;prop-1-ene;sulfate
CID 172734907
dipotassium;3-prop-2-enoxyprop-1-ene;sulfate
CID 173463307
sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321
tripotassium;titanium(2+);sulfate
CID 19377241
tetrakis(ethenyl)-λ4-sulfane
CID 88531359
beryllium;potassium;sulfate
CID 20841736
sodium;ethenesulfonate;2-hydroxyethyl prop-2-enoate
CID 159658486

Frequently Asked Questions

What is the IUPAC name of potassium ethenesulfonate?
The IUPAC name of potassium ethenesulfonate (CID 23693598) is potassium ethenesulfonate.
What is the SMILES notation for potassium ethenesulfonate?
The canonical SMILES for potassium ethenesulfonate is C=CS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium ethenesulfonate?
The InChIKey is YLQIJFPHMPTBGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O3S.K/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1.
What are the key properties of potassium ethenesulfonate?
potassium ethenesulfonate has a molecular weight of 146.21 g/mol, XLogP of -3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethenesulfonate is sourced from PubChem (CID 23693598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).