magnesium;iodomethane;sulfate

CH3IMgO4S — CID 174958426

IUPACmagnesium;iodomethane;sulfate
SMILESCI.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/CH3I.Mg.H2O4S/c1-2;;1-5(2,3)4/h1H3;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyPGFHOYZXZHRVTO-UHFFFAOYSA-L
MW262.31 g/mol
LogP-0.67
Rot. Bonds

About magnesium;iodomethane;sulfate

magnesium;iodomethane;sulfate (PubChem CID 174958426) has the molecular formula CH3IMgO4S and a molecular weight of 262.31 g/mol. Its IUPAC name is magnesium;iodomethane;sulfate.

Molecular Properties

Compound Namemagnesium;iodomethane;sulfate
PubChem CID174958426
Molecular FormulaCH3IMgO4S
Molecular Weight262.31 g/mol
Exact Mass261.86
IUPAC Namemagnesium;iodomethane;sulfate
SMILESCI.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/CH3I.Mg.H2O4S/c1-2;;1-5(2,3)4/h1H3;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyPGFHOYZXZHRVTO-UHFFFAOYSA-L
XLogP-0.67
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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magnesium;potassium;vanadium;tetrasulfate
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Frequently Asked Questions

What is the IUPAC name of magnesium;iodomethane;sulfate?
The IUPAC name of magnesium;iodomethane;sulfate (CID 174958426) is magnesium;iodomethane;sulfate.
What is the SMILES notation for magnesium;iodomethane;sulfate?
The canonical SMILES for magnesium;iodomethane;sulfate is CI.O=S(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;iodomethane;sulfate?
The InChIKey is PGFHOYZXZHRVTO-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3I.Mg.H2O4S/c1-2;;1-5(2,3)4/h1H3;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of magnesium;iodomethane;sulfate?
magnesium;iodomethane;sulfate has a molecular weight of 262.31 g/mol, XLogP of -0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;iodomethane;sulfate is sourced from PubChem (CID 174958426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).