potassium;cyclobutanesulfonic acid;hydride

C4H9KO3S — CID 173228066

IUPACpotassium;cyclobutanesulfonic acid;hydride
SMILESO=S(=O)(O)C1CCC1.[H-].[K+]
InChIInChI=1S/C4H8O3S.K.H/c5-8(6,7)4-2-1-3-4;;/h4H,1-3H2,(H,5,6,7);;/q;+1;-1
InChIKeyBTWHPXWTTJQOPX-UHFFFAOYSA-N
MW176.28 g/mol
LogP-2.46
Rot. Bonds1

About potassium;cyclobutanesulfonic acid;hydride

potassium;cyclobutanesulfonic acid;hydride (PubChem CID 173228066) has the molecular formula C4H9KO3S and a molecular weight of 176.28 g/mol. Its IUPAC name is potassium;cyclobutanesulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;cyclobutanesulfonic acid;hydride
PubChem CID173228066
Molecular FormulaC4H9KO3S
Molecular Weight176.28 g/mol
Exact Mass175.99
IUPAC Namepotassium;cyclobutanesulfonic acid;hydride
SMILESO=S(=O)(O)C1CCC1.[H-].[K+]
InChIInChI=1S/C4H8O3S.K.H/c5-8(6,7)4-2-1-3-4;;/h4H,1-3H2,(H,5,6,7);;/q;+1;-1
InChIKeyBTWHPXWTTJQOPX-UHFFFAOYSA-N
XLogP-2.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;cyclobutanesulfonic acid;hydride?
The IUPAC name of potassium;cyclobutanesulfonic acid;hydride (CID 173228066) is potassium;cyclobutanesulfonic acid;hydride.
What is the SMILES notation for potassium;cyclobutanesulfonic acid;hydride?
The canonical SMILES for potassium;cyclobutanesulfonic acid;hydride is O=S(=O)(O)C1CCC1.[H-].[K+].
What is the InChIKey of potassium;cyclobutanesulfonic acid;hydride?
The InChIKey is BTWHPXWTTJQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S.K.H/c5-8(6,7)4-2-1-3-4;;/h4H,1-3H2,(H,5,6,7);;/q;+1;-1.
What are the key properties of potassium;cyclobutanesulfonic acid;hydride?
potassium;cyclobutanesulfonic acid;hydride has a molecular weight of 176.28 g/mol, XLogP of -2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;cyclobutanesulfonic acid;hydride is sourced from PubChem (CID 173228066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).