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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 Weight:
114.24 g/mol
Names and Synonyms:
Ammonium Sulfide ((Nh4)2(S3))
Ammonium sulfide ((NH4)2(S3))
Diammonium trisulfide
Ammonium trisulfide
Identifiers:
SMILES:
N.[S-]SS
InChI:
InChI=1S/H3N.H2S3/c;1-3-2/h1H3;1-2H/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.24 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 113.95113570791 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1882999999999997 | RDKit |
| molecular_mass | 114.24 g/mol | Legacy Database |
| cas-canonical-smile | [S-]S[S-].[NH4+] None | Legacy Database |
| cas-inchi | InChI=1S/H3N.H2S3/c;1-3-2/h1H3;1-2H/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=ZGASOFTTWUIYPY-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Ammonium sulfide ((NH4)2(S3)) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.964100000000006 | RDKit |
