dipotassium;sulfonatooxysulfonothioyl sulfate

K2O9S4 — CID 174554201

IUPACdipotassium;sulfonatooxysulfonothioyl sulfate
SMILESO=S(=O)([O-])OS(=O)(=S)OS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/2K.H2O9S4/c;;1-11(2,3)8-13(7,10)9-12(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKeyKZNGISIJBIMIHU-UHFFFAOYSA-L
MW350.46 g/mol
LogP-8.48
Rot. Bonds4

About dipotassium;sulfonatooxysulfonothioyl sulfate

dipotassium;sulfonatooxysulfonothioyl sulfate (PubChem CID 174554201) has the molecular formula K2O9S4 and a molecular weight of 350.46 g/mol. Its IUPAC name is dipotassium;sulfonatooxysulfonothioyl sulfate.

Molecular Properties

Compound Namedipotassium;sulfonatooxysulfonothioyl sulfate
PubChem CID174554201
Molecular FormulaK2O9S4
Molecular Weight350.46 g/mol
Exact Mass349.77
IUPAC Namedipotassium;sulfonatooxysulfonothioyl sulfate
SMILESO=S(=O)([O-])OS(=O)(=S)OS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/2K.H2O9S4/c;;1-11(2,3)8-13(7,10)9-12(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKeyKZNGISIJBIMIHU-UHFFFAOYSA-L
XLogP-8.48
TPSA149.93 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 5-8.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

platinum(4+);sulfonato sulfate
CID 57353350
decapotassium;pentakis(dioxido-oxo-sulfanylidene-λ6-sulfane)
CID 174604001
aluminum;sodium;sulfonato sulfate
CID 159964180
potassium sulfo sulfate
CID 157130711
bismuth;potassium;dioxido-oxo-sulfanylidene-lambda6-sulfane
CID 18448851
potassium;dioxido-oxo-sulfanylidene-λ6-sulfane;gold(1+)
CID 22218750
potassium;sulfo sulfate;sulfuric acid
CID 158562224
copper;hydrazine;sulfonato sulfate
CID 158083856
dipotassium;sulfonatooxy sulfate
CID 516926
lithium;potassium;sulfonatooxy sulfate
CID 175555490
sulfonato sulfate;bis(tetramethylphosphanium)
CID 174869555
dioxido-oxo-sulfanylidene-λ6-sulfane;gold
CID 160979990

Frequently Asked Questions

What is the IUPAC name of dipotassium;sulfonatooxysulfonothioyl sulfate?
The IUPAC name of dipotassium;sulfonatooxysulfonothioyl sulfate (CID 174554201) is dipotassium;sulfonatooxysulfonothioyl sulfate.
What is the SMILES notation for dipotassium;sulfonatooxysulfonothioyl sulfate?
The canonical SMILES for dipotassium;sulfonatooxysulfonothioyl sulfate is O=S(=O)([O-])OS(=O)(=S)OS(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;sulfonatooxysulfonothioyl sulfate?
The InChIKey is KZNGISIJBIMIHU-UHFFFAOYSA-L. The full InChI is InChI=1S/2K.H2O9S4/c;;1-11(2,3)8-13(7,10)9-12(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2.
What are the key properties of dipotassium;sulfonatooxysulfonothioyl sulfate?
dipotassium;sulfonatooxysulfonothioyl sulfate has a molecular weight of 350.46 g/mol, XLogP of -8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sulfonatooxysulfonothioyl sulfate is sourced from PubChem (CID 174554201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).