iron(2+);titanium(4+);disulfate

FeO8S2Ti+2 — CID 159574428

IUPACiron(2+);titanium(4+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[Ti+4]
InChIInChI=1S/Fe.2H2O4S.Ti/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);/q+2;;;+4/p-4
InChIKeyMIFKMXKKIKXMTE-UHFFFAOYSA-J
MW295.84 g/mol
LogP-2.68
Rot. Bonds

About iron(2+);titanium(4+);disulfate

iron(2+);titanium(4+);disulfate (PubChem CID 159574428) has the molecular formula FeO8S2Ti+2 and a molecular weight of 295.84 g/mol. Its IUPAC name is iron(2+);titanium(4+);disulfate.

Molecular Properties

Compound Nameiron(2+);titanium(4+);disulfate
PubChem CID159574428
Molecular FormulaFeO8S2Ti+2
Molecular Weight295.84 g/mol
Exact Mass295.79
IUPAC Nameiron(2+);titanium(4+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[Ti+4]
InChIInChI=1S/Fe.2H2O4S.Ti/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);/q+2;;;+4/p-4
InChIKeyMIFKMXKKIKXMTE-UHFFFAOYSA-J
XLogP-2.68
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 5-2.68
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'}

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Related Compounds

bis(oxygen(2-));tris(titanium(4+));tetrasulfate
CID 173292804
bis(oxygen(2-));bis(titanium(4+));sulfate
CID 160596122
iron(2+);manganese(2+);disulfate
CID 162189705
hydron;titanium(4+);sulfate
CID 173494921
tris(iron(2+));dichloride;disulfate
CID 173070822
hexadecasilver;octasulfate
CID 174664647
azanium;sodium;iron(2+);disulfate
CID 173414593
iron(2+);manganese(2+);chloride;sulfate
CID 21281627
iron(2+);manganese(2+);disulfate;octahydrate
CID 163485463
azanium;lithium;sulfate
CID 139045804
dilithium;cobalt;sulfate
CID 174060420
dicalcium;sulfate
CID 23431966

Frequently Asked Questions

What is the IUPAC name of iron(2+);titanium(4+);disulfate?
The IUPAC name of iron(2+);titanium(4+);disulfate (CID 159574428) is iron(2+);titanium(4+);disulfate.
What is the SMILES notation for iron(2+);titanium(4+);disulfate?
The canonical SMILES for iron(2+);titanium(4+);disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[Ti+4].
What is the InChIKey of iron(2+);titanium(4+);disulfate?
The InChIKey is MIFKMXKKIKXMTE-UHFFFAOYSA-J. The full InChI is InChI=1S/Fe.2H2O4S.Ti/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);/q+2;;;+4/p-4.
What are the key properties of iron(2+);titanium(4+);disulfate?
iron(2+);titanium(4+);disulfate has a molecular weight of 295.84 g/mol, XLogP of -2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);titanium(4+);disulfate is sourced from PubChem (CID 159574428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).