dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate

C3H8K2O6S — CID 158046491

IUPACdipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate
SMILESCS(C)=O.O=C([O-])[O-].OO.[K+].[K+]
InChIInChI=1S/C2H6OS.CH2O3.2K.H2O2/c1-4(2)3;2-1(3)4;;;1-2/h1-2H3;(H2,2,3,4);;;1-2H/q;;2*+1;/p-2
InChIKeyGNQBTKNAGNRCBA-UHFFFAOYSA-L
MW250.35 g/mol
LogP-8.43
Rot. Bonds

About dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate

dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate (PubChem CID 158046491) has the molecular formula C3H8K2O6S and a molecular weight of 250.35 g/mol. Its IUPAC name is dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate.

Molecular Properties

Compound Namedipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate
PubChem CID158046491
Molecular FormulaC3H8K2O6S
Molecular Weight250.35 g/mol
Exact Mass249.93
IUPAC Namedipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate
SMILESCS(C)=O.O=C([O-])[O-].OO.[K+].[K+]
InChIInChI=1S/C2H6OS.CH2O3.2K.H2O2/c1-4(2)3;2-1(3)4;;;1-2/h1-2H3;(H2,2,3,4);;;1-2H/q;;2*+1;/p-2
InChIKeyGNQBTKNAGNRCBA-UHFFFAOYSA-L
XLogP-8.43
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-8.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

potassium;carbonic acid;hydride;methylsulfinylmethane
CID 174796839
hydrogen peroxide;methylsulfinylmethane
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copper;methylsulfinylmethane;diacetate
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methylsulfinylformic acid
CID 57268856
potassium;acetic acid;hydrogen sulfite
CID 174668160
sodium;methylsulfinylmethane;propan-2-one;acetate
CID 161163635
decapotassium;carbonic acid;pentacarbonate
CID 173334932
potassium methylsulfinylmethane
CID 22410893
acetic acid;methanol;methylsulfinylmethane
CID 88618102
potassium;hydrogen peroxide;hydrogen sulfite
CID 174371450
lithium;dipotassium;methanolate;carbonate
CID 174805423
dipotassium;disodium;dicarbonate
CID 23505264

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate?
The IUPAC name of dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate (CID 158046491) is dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate.
What is the SMILES notation for dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate?
The canonical SMILES for dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate is CS(C)=O.O=C([O-])[O-].OO.[K+].[K+].
What is the InChIKey of dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate?
The InChIKey is GNQBTKNAGNRCBA-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6OS.CH2O3.2K.H2O2/c1-4(2)3;2-1(3)4;;;1-2/h1-2H3;(H2,2,3,4);;;1-2H/q;;2*+1;/p-2.
What are the key properties of dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate?
dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate has a molecular weight of 250.35 g/mol, XLogP of -8.43, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate is sourced from PubChem (CID 158046491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).