potassium;acetic acid;hydrogen sulfite

C2H5KO5S — CID 174668160

IUPACpotassium;acetic acid;hydrogen sulfite
SMILESCC(=O)O.O=S([O-])O.[K+]
InChIInChI=1S/C2H4O2.K.H2O3S/c1-2(3)4;;1-4(2)3/h1H3,(H,3,4);;(H2,1,2,3)/q;+1;/p-1
InChIKeyVCIMESLDJOGGFY-UHFFFAOYSA-M
MW180.22 g/mol
LogP-3.57
Rot. Bonds

About potassium;acetic acid;hydrogen sulfite

potassium;acetic acid;hydrogen sulfite (PubChem CID 174668160) has the molecular formula C2H5KO5S and a molecular weight of 180.22 g/mol. Its IUPAC name is potassium;acetic acid;hydrogen sulfite.

Molecular Properties

Compound Namepotassium;acetic acid;hydrogen sulfite
PubChem CID174668160
Molecular FormulaC2H5KO5S
Molecular Weight180.22 g/mol
Exact Mass179.95
IUPAC Namepotassium;acetic acid;hydrogen sulfite
SMILESCC(=O)O.O=S([O-])O.[K+]
InChIInChI=1S/C2H4O2.K.H2O3S/c1-2(3)4;;1-4(2)3/h1H3,(H,3,4);;(H2,1,2,3)/q;+1;/p-1
InChIKeyVCIMESLDJOGGFY-UHFFFAOYSA-M
XLogP-3.57
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-3.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydrogen peroxide;hydrogen sulfite
CID 174371450
dipotassium;acetic acid;diacetate
CID 158588749
potassium;acetic acid;phosphane;acetate
CID 172706632
ethane;hydrogen sulfite;2-methylprop-2-enoic acid
CID 174520985
dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate
CID 158046491
potassium;sodium;acetic acid;azane;diacetate
CID 174405846
tetrasodium;acetic acid;tetraacetate
CID 175423347
cesium;acetic acid;acetate
CID 175712747
disodium;acetic acid;diacetate
CID 173429672
hydrogen sulfite;methanol;hydrochloride
CID 174961977
acetic acid;yttrium(3+);triacetate
CID 175880904
acetic acid;iron(3+);triacetate
CID 175778067

Frequently Asked Questions

What is the IUPAC name of potassium;acetic acid;hydrogen sulfite?
The IUPAC name of potassium;acetic acid;hydrogen sulfite (CID 174668160) is potassium;acetic acid;hydrogen sulfite.
What is the SMILES notation for potassium;acetic acid;hydrogen sulfite?
The canonical SMILES for potassium;acetic acid;hydrogen sulfite is CC(=O)O.O=S([O-])O.[K+].
What is the InChIKey of potassium;acetic acid;hydrogen sulfite?
The InChIKey is VCIMESLDJOGGFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.K.H2O3S/c1-2(3)4;;1-4(2)3/h1H3,(H,3,4);;(H2,1,2,3)/q;+1;/p-1.
What are the key properties of potassium;acetic acid;hydrogen sulfite?
potassium;acetic acid;hydrogen sulfite has a molecular weight of 180.22 g/mol, XLogP of -3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetic acid;hydrogen sulfite is sourced from PubChem (CID 174668160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).