potassium but-2-ene-2-sulfonate

C4H7KO3S — CID 159258239

IUPACpotassium but-2-ene-2-sulfonate
SMILESCC=C(C)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H8O3S.K/c1-3-4(2)8(5,6)7;/h3H,1-2H3,(H,5,6,7);/q;+1/p-1
InChIKeyKWEGFDHEJTVYIL-UHFFFAOYSA-M
MW174.26 g/mol
LogP-2.54
Rot. Bonds1

About potassium but-2-ene-2-sulfonate

potassium but-2-ene-2-sulfonate (PubChem CID 159258239) has the molecular formula C4H7KO3S and a molecular weight of 174.26 g/mol. Its IUPAC name is potassium but-2-ene-2-sulfonate.

Molecular Properties

Compound Namepotassium but-2-ene-2-sulfonate
PubChem CID159258239
Molecular FormulaC4H7KO3S
Molecular Weight174.26 g/mol
Exact Mass173.98
IUPAC Namepotassium but-2-ene-2-sulfonate
SMILESCC=C(C)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H8O3S.K/c1-3-4(2)8(5,6)7;/h3H,1-2H3,(H,5,6,7);/q;+1/p-1
InChIKeyKWEGFDHEJTVYIL-UHFFFAOYSA-M
XLogP-2.54
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium but-2-ene-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium but-2-ene-2-sulfonate?
The IUPAC name of potassium but-2-ene-2-sulfonate (CID 159258239) is potassium but-2-ene-2-sulfonate.
What is the SMILES notation for potassium but-2-ene-2-sulfonate?
The canonical SMILES for potassium but-2-ene-2-sulfonate is CC=C(C)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium but-2-ene-2-sulfonate?
The InChIKey is KWEGFDHEJTVYIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O3S.K/c1-3-4(2)8(5,6)7;/h3H,1-2H3,(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium but-2-ene-2-sulfonate?
potassium but-2-ene-2-sulfonate has a molecular weight of 174.26 g/mol, XLogP of -2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium but-2-ene-2-sulfonate is sourced from PubChem (CID 159258239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).