potassium hydrogen sulfite

HKO3S — CID 23663620

IUPACpotassium hydrogen sulfite
SMILESO=S([O-])O.[K+]
InChIInChI=1S/K.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
InChIKeyDJEHXEMURTVAOE-UHFFFAOYSA-M
MW120.17 g/mol
LogP-3.66
Rot. Bonds

About potassium hydrogen sulfite

potassium hydrogen sulfite (PubChem CID 23663620) has the molecular formula HKO3S and a molecular weight of 120.17 g/mol. Its IUPAC name is potassium hydrogen sulfite.

Molecular Properties

Compound Namepotassium hydrogen sulfite
PubChem CID23663620
Molecular FormulaHKO3S
Molecular Weight120.17 g/mol
Exact Mass119.93
IUPAC Namepotassium hydrogen sulfite
SMILESO=S([O-])O.[K+]
InChIInChI=1S/K.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
InChIKeyDJEHXEMURTVAOE-UHFFFAOYSA-M
XLogP-3.66
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-3.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium hydrogen sulfite?
The IUPAC name of potassium hydrogen sulfite (CID 23663620) is potassium hydrogen sulfite.
What is the SMILES notation for potassium hydrogen sulfite?
The canonical SMILES for potassium hydrogen sulfite is O=S([O-])O.[K+].
What is the InChIKey of potassium hydrogen sulfite?
The InChIKey is DJEHXEMURTVAOE-UHFFFAOYSA-M. The full InChI is InChI=1S/K.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1.
What are the key properties of potassium hydrogen sulfite?
potassium hydrogen sulfite has a molecular weight of 120.17 g/mol, XLogP of -3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hydrogen sulfite is sourced from PubChem (CID 23663620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).