hydroperoxysulfonylsulfonylmethane

CH4O6S2 — CID 154629222

IUPAChydroperoxysulfonylsulfonylmethane
SMILESCS(=O)(=O)S(=O)(=O)OO
InChIInChI=1S/CH4O6S2/c1-8(3,4)9(5,6)7-2/h2H,1H3
InChIKeyIVEBDORKQXEFSA-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.23
Rot. Bonds2

About hydroperoxysulfonylsulfonylmethane

hydroperoxysulfonylsulfonylmethane (PubChem CID 154629222) has the molecular formula CH4O6S2 and a molecular weight of 176.17 g/mol. Its IUPAC name is hydroperoxysulfonylsulfonylmethane.

Molecular Properties

Compound Namehydroperoxysulfonylsulfonylmethane
PubChem CID154629222
Molecular FormulaCH4O6S2
Molecular Weight176.17 g/mol
Exact Mass175.94
IUPAC Namehydroperoxysulfonylsulfonylmethane
SMILESCS(=O)(=O)S(=O)(=O)OO
InChIInChI=1S/CH4O6S2/c1-8(3,4)9(5,6)7-2/h2H,1H3
InChIKeyIVEBDORKQXEFSA-UHFFFAOYSA-N
XLogP-1.23
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;hydrogen peroxide;hydroxy hydrogen sulfate
CID 173220225
potassium hydroxy sulfate
CID 23712892
hydrogen peroxide;hydroxy hydrogen sulfate;hydrate
CID 158756435
cesium hydroxy sulfate
CID 161129276
hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid
CID 158735820
butane-2,3-dione;methylsulfonylsulfonylmethane
CID 158437729
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
sulfuric acid;tetramethyl-λ4-sulfane
CID 87168995
methanesulfonic acid;stibane
CID 173129060
CID 87129852
CID 87129852
CID 72786756
CID 72786756

Frequently Asked Questions

What is the IUPAC name of hydroperoxysulfonylsulfonylmethane?
The IUPAC name of hydroperoxysulfonylsulfonylmethane (CID 154629222) is hydroperoxysulfonylsulfonylmethane.
What is the SMILES notation for hydroperoxysulfonylsulfonylmethane?
The canonical SMILES for hydroperoxysulfonylsulfonylmethane is CS(=O)(=O)S(=O)(=O)OO.
What is the InChIKey of hydroperoxysulfonylsulfonylmethane?
The InChIKey is IVEBDORKQXEFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O6S2/c1-8(3,4)9(5,6)7-2/h2H,1H3.
What are the key properties of hydroperoxysulfonylsulfonylmethane?
hydroperoxysulfonylsulfonylmethane has a molecular weight of 176.17 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxysulfonylsulfonylmethane is sourced from PubChem (CID 154629222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).