magnesium ethyl hydrogen sulfate

C2H6MgO4S+2 — CID 21116015

IUPACmagnesium ethyl hydrogen sulfate
SMILESCCOS(=O)(=O)O.[Mg+2]
InChIInChI=1S/C2H6O4S.Mg/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2
InChIKeyGMXWWLOJPLLVIX-UHFFFAOYSA-N
MW150.44 g/mol
LogP-0.56
Rot. Bonds2

About magnesium ethyl hydrogen sulfate

magnesium ethyl hydrogen sulfate (PubChem CID 21116015) has the molecular formula C2H6MgO4S+2 and a molecular weight of 150.44 g/mol. Its IUPAC name is magnesium ethyl hydrogen sulfate.

Molecular Properties

Compound Namemagnesium ethyl hydrogen sulfate
PubChem CID21116015
Molecular FormulaC2H6MgO4S+2
Molecular Weight150.44 g/mol
Exact Mass149.98
IUPAC Namemagnesium ethyl hydrogen sulfate
SMILESCCOS(=O)(=O)O.[Mg+2]
InChIInChI=1S/C2H6O4S.Mg/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2
InChIKeyGMXWWLOJPLLVIX-UHFFFAOYSA-N
XLogP-0.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.44
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze magnesium ethyl hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium ethyl hydrogen sulfate?
The IUPAC name of magnesium ethyl hydrogen sulfate (CID 21116015) is magnesium ethyl hydrogen sulfate.
What is the SMILES notation for magnesium ethyl hydrogen sulfate?
The canonical SMILES for magnesium ethyl hydrogen sulfate is CCOS(=O)(=O)O.[Mg+2].
What is the InChIKey of magnesium ethyl hydrogen sulfate?
The InChIKey is GMXWWLOJPLLVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.Mg/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2.
What are the key properties of magnesium ethyl hydrogen sulfate?
magnesium ethyl hydrogen sulfate has a molecular weight of 150.44 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium ethyl hydrogen sulfate is sourced from PubChem (CID 21116015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).