potassium 2-hydroxyethanesulfonate

C2H5KO4S — CID 23689117

IUPACpotassium 2-hydroxyethanesulfonate
SMILESO=S(=O)([O-])CCO.[K+]
InChIInChI=1S/C2H6O4S.K/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKeyDMNPUBKRNRRYMC-UHFFFAOYSA-M
MW164.22 g/mol
LogP-4.47
Rot. Bonds2

About potassium 2-hydroxyethanesulfonate

potassium 2-hydroxyethanesulfonate (PubChem CID 23689117) has the molecular formula C2H5KO4S and a molecular weight of 164.22 g/mol. Its IUPAC name is potassium 2-hydroxyethanesulfonate.

Molecular Properties

Compound Namepotassium 2-hydroxyethanesulfonate
PubChem CID23689117
Molecular FormulaC2H5KO4S
Molecular Weight164.22 g/mol
Exact Mass163.95
IUPAC Namepotassium 2-hydroxyethanesulfonate
SMILESO=S(=O)([O-])CCO.[K+]
InChIInChI=1S/C2H6O4S.K/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKeyDMNPUBKRNRRYMC-UHFFFAOYSA-M
XLogP-4.47
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 5-4.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-hydroxyethanesulfonate?
The IUPAC name of potassium 2-hydroxyethanesulfonate (CID 23689117) is potassium 2-hydroxyethanesulfonate.
What is the SMILES notation for potassium 2-hydroxyethanesulfonate?
The canonical SMILES for potassium 2-hydroxyethanesulfonate is O=S(=O)([O-])CCO.[K+].
What is the InChIKey of potassium 2-hydroxyethanesulfonate?
The InChIKey is DMNPUBKRNRRYMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O4S.K/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1.
What are the key properties of potassium 2-hydroxyethanesulfonate?
potassium 2-hydroxyethanesulfonate has a molecular weight of 164.22 g/mol, XLogP of -4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hydroxyethanesulfonate is sourced from PubChem (CID 23689117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).