Ammonium iron(cento) sulfate hexahydrate

H20FeN2O14S2+ — CID 139036106

IUPAC—
SMILESN.N.O.O.O.O.O.O.O=S(=O)([O-])O.[Fe+2].[O]S(=O)(=O)O
InChIInChI=1S/Fe.2H3N.H2O4S.HO4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;(H2,1,2,3,4);(H,1,2,3);6*1H2/q+2;;;;;;;;;;/p-1
InChIKeyJYIKWNZOHNDDJY-UHFFFAOYSA-M
MW392.14 g/mol
LogP-6.40
Rot. Bonds

About Ammonium iron(cento) sulfate hexahydrate

Ammonium iron(cento) sulfate hexahydrate (PubChem CID 139036106) has the molecular formula H20FeN2O14S2+ and a molecular weight of 392.14 g/mol.

Molecular Properties

Compound NameAmmonium iron(cento) sulfate hexahydrate
PubChem CID139036106
Molecular FormulaH20FeN2O14S2+
Molecular Weight392.14 g/mol
Exact Mass391.97
IUPAC Name—
SMILESN.N.O.O.O.O.O.O.O=S(=O)([O-])O.[Fe+2].[O]S(=O)(=O)O
InChIInChI=1S/Fe.2H3N.H2O4S.HO4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;(H2,1,2,3,4);(H,1,2,3);6*1H2/q+2;;;;;;;;;;/p-1
InChIKeyJYIKWNZOHNDDJY-UHFFFAOYSA-M
XLogP-6.40
TPSA410.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 5-6.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

azane;hydrogen sulfate;vanadium;sulfate
CID 171375501
azane;iron(2+);sulfuric acid;sulfate
CID 57495516
sodium;azane;hydrogen sulfate;hydrochloride
CID 173374550
strontium hydrogen sulfate
CID 160697720
hydrogen sulfate;zirconium(4+)
CID 11213772
copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride
CID 175145855
(N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3
CID 139088979
copper;azane;sulfuric acid;sulfate;hexahydrate
CID 102602606
CID 20581843
CID 20581843
hydrogen sulfate;hydron;silver
CID 173307708
sodium;hydrogen peroxide;hydrogen sulfate
CID 159927283
sulfuric acid;sulfate;heptahydrate
CID 22403493

Frequently Asked Questions

What is the IUPAC name of Ammonium iron(cento) sulfate hexahydrate?
The IUPAC name of Ammonium iron(cento) sulfate hexahydrate (CID 139036106) is not available.
What is the SMILES notation for Ammonium iron(cento) sulfate hexahydrate?
The canonical SMILES for Ammonium iron(cento) sulfate hexahydrate is N.N.O.O.O.O.O.O.O=S(=O)([O-])O.[Fe+2].[O]S(=O)(=O)O.
What is the InChIKey of Ammonium iron(cento) sulfate hexahydrate?
The InChIKey is JYIKWNZOHNDDJY-UHFFFAOYSA-M. The full InChI is InChI=1S/Fe.2H3N.H2O4S.HO4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;(H2,1,2,3,4);(H,1,2,3);6*1H2/q+2;;;;;;;;;;/p-1.
What are the key properties of Ammonium iron(cento) sulfate hexahydrate?
Ammonium iron(cento) sulfate hexahydrate has a molecular weight of 392.14 g/mol, XLogP of -6.40, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ammonium iron(cento) sulfate hexahydrate is sourced from PubChem (CID 139036106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).