potassium;butane;hydrogen sulfite

C4H11KO3S — CID 174393404

IUPACpotassium;butane;hydrogen sulfite
SMILESCCCC.O=S([O-])O.[K+]
InChIInChI=1S/C4H10.K.H2O3S/c1-3-4-2;;1-4(2)3/h3-4H2,1-2H3;;(H2,1,2,3)/q;+1;/p-1
InChIKeyLRGSZEBZRJRKMF-UHFFFAOYSA-M
MW178.29 g/mol
LogP-1.85
Rot. Bonds1

About potassium;butane;hydrogen sulfite

potassium;butane;hydrogen sulfite (PubChem CID 174393404) has the molecular formula C4H11KO3S and a molecular weight of 178.29 g/mol. Its IUPAC name is potassium;butane;hydrogen sulfite.

Molecular Properties

Compound Namepotassium;butane;hydrogen sulfite
PubChem CID174393404
Molecular FormulaC4H11KO3S
Molecular Weight178.29 g/mol
Exact Mass178.01
IUPAC Namepotassium;butane;hydrogen sulfite
SMILESCCCC.O=S([O-])O.[K+]
InChIInChI=1S/C4H10.K.H2O3S/c1-3-4-2;;1-4(2)3/h3-4H2,1-2H3;;(H2,1,2,3)/q;+1;/p-1
InChIKeyLRGSZEBZRJRKMF-UHFFFAOYSA-M
XLogP-1.85
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.29
LogP ≤ 5-1.85
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;butane;hydrogen sulfite?
The IUPAC name of potassium;butane;hydrogen sulfite (CID 174393404) is potassium;butane;hydrogen sulfite.
What is the SMILES notation for potassium;butane;hydrogen sulfite?
The canonical SMILES for potassium;butane;hydrogen sulfite is CCCC.O=S([O-])O.[K+].
What is the InChIKey of potassium;butane;hydrogen sulfite?
The InChIKey is LRGSZEBZRJRKMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10.K.H2O3S/c1-3-4-2;;1-4(2)3/h3-4H2,1-2H3;;(H2,1,2,3)/q;+1;/p-1.
What are the key properties of potassium;butane;hydrogen sulfite?
potassium;butane;hydrogen sulfite has a molecular weight of 178.29 g/mol, XLogP of -1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butane;hydrogen sulfite is sourced from PubChem (CID 174393404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).