potassium;sodium;sulfurothioic O-acid;sulfate

H2KNaO7S3 — CID 174539688

IUPACpotassium;sodium;sulfurothioic O-acid;sulfate
SMILESO=S(=O)([O-])[O-].O=S(O)(O)=S.[K+].[Na+]
InChIInChI=1S/K.Na.H2O4S.H2O3S2/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+1;;/p-2
InChIKeyYCKSQXIRCLFBLH-UHFFFAOYSA-L
MW272.30 g/mol
LogP-7.65
Rot. Bonds

About potassium;sodium;sulfurothioic O-acid;sulfate

potassium;sodium;sulfurothioic O-acid;sulfate (PubChem CID 174539688) has the molecular formula H2KNaO7S3 and a molecular weight of 272.30 g/mol. Its IUPAC name is potassium;sodium;sulfurothioic O-acid;sulfate.

Molecular Properties

Compound Namepotassium;sodium;sulfurothioic O-acid;sulfate
PubChem CID174539688
Molecular FormulaH2KNaO7S3
Molecular Weight272.30 g/mol
Exact Mass271.85
IUPAC Namepotassium;sodium;sulfurothioic O-acid;sulfate
SMILESO=S(=O)([O-])[O-].O=S(O)(O)=S.[K+].[Na+]
InChIInChI=1S/K.Na.H2O4S.H2O3S2/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+1;;/p-2
InChIKeyYCKSQXIRCLFBLH-UHFFFAOYSA-L
XLogP-7.65
TPSA137.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-7.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

trisodium;dioxido-oxo-sulfanylidene-λ6-sulfane;gold;sulfurothioic O-acid
CID 170842197
sodium;sulfuric acid;sulfate
CID 19758473
tetrasodium;sulfuric acid;disulfate
CID 172828652
disodium;hydride;bis(sulfurothioic O-acid)
CID 173307692
platinum;sulfurothioic O-acid
CID 173374995
sodium;hydride;sulfane;sulfurothioic O-acid
CID 174251415
sodium;hydride;sulfurothioic O-acid;dihydrate
CID 173056631
disodium;hydride;sulfuric acid;sulfurothioic O-acid
CID 174838171
azanium hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 57346127
magnesium;dipotassium;sulfuric acid;disulfate
CID 57348205
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrogen peroxide
CID 159432159
CID 173226223
CID 173226223

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;sulfurothioic O-acid;sulfate?
The IUPAC name of potassium;sodium;sulfurothioic O-acid;sulfate (CID 174539688) is potassium;sodium;sulfurothioic O-acid;sulfate.
What is the SMILES notation for potassium;sodium;sulfurothioic O-acid;sulfate?
The canonical SMILES for potassium;sodium;sulfurothioic O-acid;sulfate is O=S(=O)([O-])[O-].O=S(O)(O)=S.[K+].[Na+].
What is the InChIKey of potassium;sodium;sulfurothioic O-acid;sulfate?
The InChIKey is YCKSQXIRCLFBLH-UHFFFAOYSA-L. The full InChI is InChI=1S/K.Na.H2O4S.H2O3S2/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+1;;/p-2.
What are the key properties of potassium;sodium;sulfurothioic O-acid;sulfate?
potassium;sodium;sulfurothioic O-acid;sulfate has a molecular weight of 272.30 g/mol, XLogP of -7.65, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;sulfurothioic O-acid;sulfate is sourced from PubChem (CID 174539688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).