tris(iron(2+));dichloride;disulfate

Cl2Fe3O8S2 — CID 173070822

IUPACtris(iron(2+));dichloride;disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cl-].[Cl-].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/2ClH.3Fe.2H2O4S/c;;;;;2*1-5(2,3)4/h2*1H;;;;2*(H2,1,2,3,4)/q;;3*+2;;/p-6
InChIKeyCMPHBUZADLSBPC-UHFFFAOYSA-H
MW430.57 g/mol
LogP-8.68
Rot. Bonds

About tris(iron(2+));dichloride;disulfate

tris(iron(2+));dichloride;disulfate (PubChem CID 173070822) has the molecular formula Cl2Fe3O8S2 and a molecular weight of 430.57 g/mol. Its IUPAC name is tris(iron(2+));dichloride;disulfate.

Molecular Properties

Compound Nametris(iron(2+));dichloride;disulfate
PubChem CID173070822
Molecular FormulaCl2Fe3O8S2
Molecular Weight430.57 g/mol
Exact Mass429.65
IUPAC Nametris(iron(2+));dichloride;disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cl-].[Cl-].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/2ClH.3Fe.2H2O4S/c;;;;;2*1-5(2,3)4/h2*1H;;;;2*(H2,1,2,3,4)/q;;3*+2;;/p-6
InChIKeyCMPHBUZADLSBPC-UHFFFAOYSA-H
XLogP-8.68
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 5-8.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

Analyze tris(iron(2+));dichloride;disulfate with MolForge

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

Launch Full Analysis

Related Compounds

iron(2+);manganese(2+);chloride;sulfate
CID 21281627
calcium;magnesium;iron(2+);chloride;sulfate
CID 172808696
iron(2+);manganese(2+);disulfate
CID 162189705
nickel(2+);chloride;sulfate
CID 19745759
iron(2+);titanium(4+);disulfate
CID 159574428
hexadecasilver;octasulfate
CID 174664647
triazanium;azane;chloride;sulfate
CID 163745229
copper(1+);iron(3+);chloride;sulfate
CID 20532160
chromium(3+);chloride;sulfate;hexahydrate
CID 174996019
calcium;zinc;dichloride;sulfate
CID 174360768
azanium;sodium;iron(2+);disulfate
CID 173414593
iron(2+);manganese(2+);disulfate;octahydrate
CID 163485463

Frequently Asked Questions

What is the IUPAC name of tris(iron(2+));dichloride;disulfate?
The IUPAC name of tris(iron(2+));dichloride;disulfate (CID 173070822) is tris(iron(2+));dichloride;disulfate.
What is the SMILES notation for tris(iron(2+));dichloride;disulfate?
The canonical SMILES for tris(iron(2+));dichloride;disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cl-].[Cl-].[Fe+2].[Fe+2].[Fe+2].
What is the InChIKey of tris(iron(2+));dichloride;disulfate?
The InChIKey is CMPHBUZADLSBPC-UHFFFAOYSA-H. The full InChI is InChI=1S/2ClH.3Fe.2H2O4S/c;;;;;2*1-5(2,3)4/h2*1H;;;;2*(H2,1,2,3,4)/q;;3*+2;;/p-6.
What are the key properties of tris(iron(2+));dichloride;disulfate?
tris(iron(2+));dichloride;disulfate has a molecular weight of 430.57 g/mol, XLogP of -8.68, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iron(2+));dichloride;disulfate is sourced from PubChem (CID 173070822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).