potassium benzenesulfonic acid

C6H6KO3S+ — CID 19930600

IUPACpotassium benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1.[K+]
InChIInChI=1S/C6H6O3S.K/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1
InChIKeyABHHITAVUODQNA-UHFFFAOYSA-N
MW197.28 g/mol
LogP-2.06
Rot. Bonds1

About potassium benzenesulfonic acid

potassium benzenesulfonic acid (PubChem CID 19930600) has the molecular formula C6H6KO3S+ and a molecular weight of 197.28 g/mol. Its IUPAC name is potassium benzenesulfonic acid.

Molecular Properties

Compound Namepotassium benzenesulfonic acid
PubChem CID19930600
Molecular FormulaC6H6KO3S+
Molecular Weight197.28 g/mol
Exact Mass196.97
IUPAC Namepotassium benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1.[K+]
InChIInChI=1S/C6H6O3S.K/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1
InChIKeyABHHITAVUODQNA-UHFFFAOYSA-N
XLogP-2.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-2.06
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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Related Compounds

benzenesulfonic acid
CID 87196622
benzenesulfonic acid;silane
CID 175365915
benzenesulfonic acid;manganese
CID 87184776
tricalcium;benzenesulfonic acid;hydride
CID 173198982
benzenesulfonic acid;mercury(1+);hydrate
CID 21150893
disodium;benzenesulfonic acid;sulfate
CID 159561788
benzenesulfonic acid;formamide
CID 161208956
benzenesulfonic acid;phthalic acid
CID 175224750
benzenesulfonic acid;ethenamine
CID 175283513
benzenesulfonic acid;benzylbenzene
CID 18989090
acetic acid;benzenesulfonic acid;methanesulfonic acid
CID 23154555
calcium;azane;benzenesulfonate;benzenesulfonic acid
CID 173423986

Frequently Asked Questions

What is the IUPAC name of potassium benzenesulfonic acid?
The IUPAC name of potassium benzenesulfonic acid (CID 19930600) is potassium benzenesulfonic acid.
What is the SMILES notation for potassium benzenesulfonic acid?
The canonical SMILES for potassium benzenesulfonic acid is O=S(=O)(O)c1ccccc1.[K+].
What is the InChIKey of potassium benzenesulfonic acid?
The InChIKey is ABHHITAVUODQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S.K/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1.
What are the key properties of potassium benzenesulfonic acid?
potassium benzenesulfonic acid has a molecular weight of 197.28 g/mol, XLogP of -2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium benzenesulfonic acid is sourced from PubChem (CID 19930600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).