magnesium;bis(iron(3+));dichloride;trisulfate

Cl2Fe2MgO12S3 — CID 174891145

IUPACmagnesium;bis(iron(3+));dichloride;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cl-].[Cl-].[Fe+3].[Fe+3].[Mg+2]
InChIInChI=1S/2ClH.2Fe.Mg.3H2O4S/c;;;;;3*1-5(2,3)4/h2*1H;;;;3*(H2,1,2,3,4)/q;;2*+3;+2;;;/p-8
InChIKeyXICGHASWLOCUTO-UHFFFAOYSA-F
MW495.09 g/mol
LogP-10.39
Rot. Bonds

About magnesium;bis(iron(3+));dichloride;trisulfate

magnesium;bis(iron(3+));dichloride;trisulfate (PubChem CID 174891145) has the molecular formula Cl2Fe2MgO12S3 and a molecular weight of 495.09 g/mol. Its IUPAC name is magnesium;bis(iron(3+));dichloride;trisulfate.

Molecular Properties

Compound Namemagnesium;bis(iron(3+));dichloride;trisulfate
PubChem CID174891145
Molecular FormulaCl2Fe2MgO12S3
Molecular Weight495.09 g/mol
Exact Mass493.65
IUPAC Namemagnesium;bis(iron(3+));dichloride;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cl-].[Cl-].[Fe+3].[Fe+3].[Mg+2]
InChIInChI=1S/2ClH.2Fe.Mg.3H2O4S/c;;;;;3*1-5(2,3)4/h2*1H;;;;3*(H2,1,2,3,4)/q;;2*+3;+2;;;/p-8
InChIKeyXICGHASWLOCUTO-UHFFFAOYSA-F
XLogP-10.39
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.09
LogP ≤ 5-10.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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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CID 138961463
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Frequently Asked Questions

What is the IUPAC name of magnesium;bis(iron(3+));dichloride;trisulfate?
The IUPAC name of magnesium;bis(iron(3+));dichloride;trisulfate (CID 174891145) is magnesium;bis(iron(3+));dichloride;trisulfate.
What is the SMILES notation for magnesium;bis(iron(3+));dichloride;trisulfate?
The canonical SMILES for magnesium;bis(iron(3+));dichloride;trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cl-].[Cl-].[Fe+3].[Fe+3].[Mg+2].
What is the InChIKey of magnesium;bis(iron(3+));dichloride;trisulfate?
The InChIKey is XICGHASWLOCUTO-UHFFFAOYSA-F. The full InChI is InChI=1S/2ClH.2Fe.Mg.3H2O4S/c;;;;;3*1-5(2,3)4/h2*1H;;;;3*(H2,1,2,3,4)/q;;2*+3;+2;;;/p-8.
What are the key properties of magnesium;bis(iron(3+));dichloride;trisulfate?
magnesium;bis(iron(3+));dichloride;trisulfate has a molecular weight of 495.09 g/mol, XLogP of -10.39, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(iron(3+));dichloride;trisulfate is sourced from PubChem (CID 174891145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).