potassium ethyl sulfate

C2H5KO4S — CID 23680282

IUPACpotassium ethyl sulfate
SMILESCCOS(=O)(=O)[O-].[K+]
InChIInChI=1S/C2H6O4S.K/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKeyFUGINSUSTSZAEY-UHFFFAOYSA-M
MW164.22 g/mol
LogP-3.51
Rot. Bonds2

About potassium ethyl sulfate

potassium ethyl sulfate (PubChem CID 23680282) has the molecular formula C2H5KO4S and a molecular weight of 164.22 g/mol. Its IUPAC name is potassium ethyl sulfate.

Molecular Properties

Compound Namepotassium ethyl sulfate
PubChem CID23680282
Molecular FormulaC2H5KO4S
Molecular Weight164.22 g/mol
Exact Mass163.95
IUPAC Namepotassium ethyl sulfate
SMILESCCOS(=O)(=O)[O-].[K+]
InChIInChI=1S/C2H6O4S.K/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKeyFUGINSUSTSZAEY-UHFFFAOYSA-M
XLogP-3.51
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sulfuric acid, ethyl methyl ester
CID 69945
Sodium ethyl sulfate
CID 23680278
Ethyl sulfate anion
CID 3804841
Sodium;1,1,2,2,2-pentadeuterioethyl sulfate
CID 46782931
Ethyl sulfate;hydron
CID 57448826
Ethyl fluosulfate
CID 88599587
Aethylschwefelsaures Silber
CID 89926795
Propio-sulfate
CID 129717899
Mercury(1+) ethyl sulphate
CID 25090602
CID 4496939
CID 4496939
Chloro ethyl sulfate
CID 14249990
Potassium propyl sulfate
CID 23545356

Frequently Asked Questions

What is the IUPAC name of potassium ethyl sulfate?
The IUPAC name of potassium ethyl sulfate (CID 23680282) is potassium ethyl sulfate.
What is the SMILES notation for potassium ethyl sulfate?
The canonical SMILES for potassium ethyl sulfate is CCOS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium ethyl sulfate?
The InChIKey is FUGINSUSTSZAEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O4S.K/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1.
What are the key properties of potassium ethyl sulfate?
potassium ethyl sulfate has a molecular weight of 164.22 g/mol, XLogP of -3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethyl sulfate is sourced from PubChem (CID 23680282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).