magnesium;methane;sulfate

CH4MgO4S — CID 158186835

IUPACmagnesium;methane;sulfate
SMILESC.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/CH4.Mg.H2O4S/c;;1-5(2,3)4/h1H4;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyFZFYLNCTBPJTII-UHFFFAOYSA-L
MW136.41 g/mol
LogP-1.08
Rot. Bonds

About magnesium;methane;sulfate

magnesium;methane;sulfate (PubChem CID 158186835) has the molecular formula CH4MgO4S and a molecular weight of 136.41 g/mol. Its IUPAC name is magnesium;methane;sulfate.

Molecular Properties

Compound Namemagnesium;methane;sulfate
PubChem CID158186835
Molecular FormulaCH4MgO4S
Molecular Weight136.41 g/mol
Exact Mass135.97
IUPAC Namemagnesium;methane;sulfate
SMILESC.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/CH4.Mg.H2O4S/c;;1-5(2,3)4/h1H4;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyFZFYLNCTBPJTII-UHFFFAOYSA-L
XLogP-1.08
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.41
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;methane;sulfate?
The IUPAC name of magnesium;methane;sulfate (CID 158186835) is magnesium;methane;sulfate.
What is the SMILES notation for magnesium;methane;sulfate?
The canonical SMILES for magnesium;methane;sulfate is C.O=S(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;methane;sulfate?
The InChIKey is FZFYLNCTBPJTII-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4.Mg.H2O4S/c;;1-5(2,3)4/h1H4;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of magnesium;methane;sulfate?
magnesium;methane;sulfate has a molecular weight of 136.41 g/mol, XLogP of -1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methane;sulfate is sourced from PubChem (CID 158186835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).