Back to Search
Molecule
Ammonium Iron(Iii) Sulfate
CAS: 10138-04-2 · H5FeNO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10138-04-2
- Molecular Formula
- H5FeNO4S
- Molecular Mass
- 170.95 g/mol
Identifiers
CAS Registry Number
10138-04-2
SMILES
N.O=S(=O)(O)O.[Fe]
InChI Key
SGSXYQPXIVHYON-UHFFFAOYSA-N
InChI
InChI=1S/Fe.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4)
Names and Synonyms
- Ammonium Iron(Iii) Sulfate Synonym
- Sulfuric acid, ammonium iron(3+) salt (2:1:1) Synonym
- Ammonium iron sulfate (NH4Fe(SO4)2) Synonym
- Ammonium iron sulfate Synonym
- Ferric ammonium sulfate Synonym
- Ferriammonium sulfate Synonym
- Ammonium ferric sulfate Synonym
- Ammonium ferric sulfate (NH4Fe(SO4)2) Synonym
- Ammonium iron disulfate Synonym
- Monoammonium ferric disulfate Synonym
- Iron ammonium disulfate Synonym
- Ferric ammonium disulfate Synonym
- Ammonium ferric alum Synonym
- Ammonium iron bis(sulfate) Synonym
- Ferric ammonium alum Synonym
- Ammonium ferric disulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.95 g/mol | CAS Common Chemistry |
| 170.95499999999998 g/mol | RDKit | |
| 170.955 g/mol | RDKit | |
| 172.964 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_iron(III)_sulfate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=S(=O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/Fe.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=SGSXYQPXIVHYON-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ammonium ferric sulfate | CAS Common Chemistry |
| Ammonium iron(III) sulfate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 109.60000000000001 Ų | RDKit |
| 109.6 Ų | RDKit | |
| 118.6 Ų | chempirical lib | |
| LogP | -0.4932999999999997 | RDKit |
| -0.4933 | RDKit | |
| Molar Refractivity | 19.1995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 170.92886614 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 170.95 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula H5FeNO4S.
