calcium;magnesium;disulfite

CaMgO6S2 — CID 22465809

IUPACcalcium;magnesium;disulfite
SMILESO=S([O-])[O-].O=S([O-])[O-].[Ca+2].[Mg+2]
InChIInChI=1S/Ca.Mg.2H2O3S/c;;2*1-4(2)3/h;;2*(H2,1,2,3)/q2*+2;;/p-4
InChIKeyZOOKVXRZYIHWIT-UHFFFAOYSA-J
MW224.51 g/mol
LogP-2.77
Rot. Bonds

About calcium;magnesium;disulfite

calcium;magnesium;disulfite (PubChem CID 22465809) has the molecular formula CaMgO6S2 and a molecular weight of 224.51 g/mol. Its IUPAC name is calcium;magnesium;disulfite.

Molecular Properties

Compound Namecalcium;magnesium;disulfite
PubChem CID22465809
Molecular FormulaCaMgO6S2
Molecular Weight224.51 g/mol
Exact Mass223.86
IUPAC Namecalcium;magnesium;disulfite
SMILESO=S([O-])[O-].O=S([O-])[O-].[Ca+2].[Mg+2]
InChIInChI=1S/Ca.Mg.2H2O3S/c;;2*1-4(2)3/h;;2*(H2,1,2,3)/q2*+2;;/p-4
InChIKeyZOOKVXRZYIHWIT-UHFFFAOYSA-J
XLogP-2.77
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.51
LogP ≤ 5-2.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;sulfite;dihydrate
CID 23448497
ruthenium(2+) sulfite
CID 22610794
cobalt(2+) sulfite
CID 18760923
dicopper disulfite
CID 170844287
disodium;sulfite
CID 516934
bis(lutetium(3+));trisulfite
CID 159878392
chromium(2+) sulfite
CID 22462027
dicalcium;sulfurous acid;disulfite
CID 174940805
dimagnesium;hydrogen sulfite;sulfite
CID 158769283
disodium;sulfite;hexahydrate
CID 158498638
sodium;sulfite;hydrate
CID 19366461
hydron;iron(2+);sulfite
CID 20545645

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;disulfite?
The IUPAC name of calcium;magnesium;disulfite (CID 22465809) is calcium;magnesium;disulfite.
What is the SMILES notation for calcium;magnesium;disulfite?
The canonical SMILES for calcium;magnesium;disulfite is O=S([O-])[O-].O=S([O-])[O-].[Ca+2].[Mg+2].
What is the InChIKey of calcium;magnesium;disulfite?
The InChIKey is ZOOKVXRZYIHWIT-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.Mg.2H2O3S/c;;2*1-4(2)3/h;;2*(H2,1,2,3)/q2*+2;;/p-4.
What are the key properties of calcium;magnesium;disulfite?
calcium;magnesium;disulfite has a molecular weight of 224.51 g/mol, XLogP of -2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;disulfite is sourced from PubChem (CID 22465809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).