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Molecule
Ammonium Sulfide ((Nh4)2(S3))
CAS: 12259-92-6 · H4NS3-
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12259-92-6
- Molecular Formula
- H4NS3-
- Molecular Mass
- 114.24 g/mol
Identifiers
CAS Registry Number
12259-92-6
SMILES
N.[S-]SS
InChI Key
ZGASOFTTWUIYPY-UHFFFAOYSA-M
InChI
InChI=1S/H3N.H2S3/c;1-3-2/h1H3;1-2H/p-1
Names and Synonyms
- Ammonium Sulfide ((Nh4)2(S3)) Synonym
- Ammonium sulfide ((NH4)2(S3)) Synonym
- Diammonium trisulfide Synonym
- Ammonium trisulfide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.24 g/mol | CAS Common Chemistry |
| 114.219 g/mol | chempirical lib | |
| Canonical SMILES | [S-]S[S-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/H3N.H2S3/c;1-3-2/h1H3;1-2H/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZGASOFTTWUIYPY-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Ammonium sulfide ((NH4)2(S3)) | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.0 Ų | RDKit |
| LogP | 1.1882999999999997 | RDKit |
| 1.1883 | RDKit | |
| Molar Refractivity | 28.964100000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 113.95113570791 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 114.24 g/mol. Edit any field — others recompute live.
