magnesium methyl sulfite

C2H6MgO6S2 — CID 88792923

IUPACmagnesium methyl sulfite
SMILESCOS(=O)[O-].COS(=O)[O-].[Mg+2]
InChIInChI=1S/2CH4O3S.Mg/c2*1-4-5(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2
InChIKeyHIMWZEDDACSAKH-UHFFFAOYSA-L
MW214.50 g/mol
LogP-1.53
Rot. Bonds2

About magnesium methyl sulfite

magnesium methyl sulfite (PubChem CID 88792923) has the molecular formula C2H6MgO6S2 and a molecular weight of 214.50 g/mol. Its IUPAC name is magnesium methyl sulfite.

Molecular Properties

Compound Namemagnesium methyl sulfite
PubChem CID88792923
Molecular FormulaC2H6MgO6S2
Molecular Weight214.50 g/mol
Exact Mass213.95
IUPAC Namemagnesium methyl sulfite
SMILESCOS(=O)[O-].COS(=O)[O-].[Mg+2]
InChIInChI=1S/2CH4O3S.Mg/c2*1-4-5(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2
InChIKeyHIMWZEDDACSAKH-UHFFFAOYSA-L
XLogP-1.53
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.50
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze magnesium methyl sulfite 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 methyl sulfite?
The IUPAC name of magnesium methyl sulfite (CID 88792923) is magnesium methyl sulfite.
What is the SMILES notation for magnesium methyl sulfite?
The canonical SMILES for magnesium methyl sulfite is COS(=O)[O-].COS(=O)[O-].[Mg+2].
What is the InChIKey of magnesium methyl sulfite?
The InChIKey is HIMWZEDDACSAKH-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH4O3S.Mg/c2*1-4-5(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2.
What are the key properties of magnesium methyl sulfite?
magnesium methyl sulfite has a molecular weight of 214.50 g/mol, XLogP of -1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium methyl sulfite is sourced from PubChem (CID 88792923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).