(hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane

CH6MgO4S — CID 169429895

IUPAC(hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane
SMILESC.O=S(O)(=[Mg])OO
InChIInChI=1S/CH4.Mg.H2O4S/c;;1-4-5(2)3/h1H4;;1H,(H,2,3)
InChIKeySMIKBKFUABLLEQ-UHFFFAOYSA-N
MW138.43 g/mol
LogP-0.13
Rot. Bonds1

About (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane

(hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane (PubChem CID 169429895) has the molecular formula CH6MgO4S and a molecular weight of 138.43 g/mol. Its IUPAC name is (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane.

Molecular Properties

Compound Name(hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane
PubChem CID169429895
Molecular FormulaCH6MgO4S
Molecular Weight138.43 g/mol
Exact Mass137.98
IUPAC Name(hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane
SMILESC.O=S(O)(=[Mg])OO
InChIInChI=1S/CH4.Mg.H2O4S/c;;1-4-5(2)3/h1H4;;1H,(H,2,3)
InChIKeySMIKBKFUABLLEQ-UHFFFAOYSA-N
XLogP-0.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.43
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

azane;hydrogen peroxide;hydroxy hydrogen sulfate
CID 173220225
hydrogen peroxide;hydroxy hydrogen sulfate;hydrate
CID 158756435
hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid
CID 158735820
methane;sulfuric acid
CID 174865737
potassium;hydride;hydroxy hydrogen sulfate;selane
CID 174900610
sodium;hydroxy sulfate;methane;dihydrate
CID 173150022
sodium;formaldehyde;hydride;hydroxy hydrogen sulfate
CID 173280993
methane;sulfuric acid;zirconium
CID 174991893
methane;sulfuric acid;hydrate
CID 174518914
azane;methane;sulfuric acid
CID 174862240
potassium hydroxy sulfate
CID 23712892
cesium hydroxy sulfate
CID 161129276

Frequently Asked Questions

What is the IUPAC name of (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane?
The IUPAC name of (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane (CID 169429895) is (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane.
What is the SMILES notation for (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane?
The canonical SMILES for (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane is C.O=S(O)(=[Mg])OO.
What is the InChIKey of (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane?
The InChIKey is SMIKBKFUABLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.Mg.H2O4S/c;;1-4-5(2)3/h1H4;;1H,(H,2,3).
What are the key properties of (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane?
(hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane has a molecular weight of 138.43 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane is sourced from PubChem (CID 169429895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).