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Sulfamide
CAS: 7803-58-9 | H4N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7803-58-9
Molecular Formula:
H4N2O2S
Molecular Weight:
96.11099999999999 g/mol
Names and Synonyms:
Sulfamide
Sulfamoylamine
NSC 252
Sulphamide
Sulfonyl diamide
Imidosulfamic acid
Sulfuryl diamide
Sulfuric diamide
Sulfuryl amide
Sulfamamide
Sulfamide
Identifiers:
SMILES:
NS(N)(=O)=O
InChI:
InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 86.18 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.8514 | RDKit |
| molecular_mass | 96.11 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sulfamide None | Legacy Database |
| cas-canonical-smile | O=S(=O)(N)N None | Legacy Database |
| cas-inchi | InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=NVBFHJWHLNUMCV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 92 °C None | Legacy Database |
| cas-name | Sulfamide None | Legacy Database |
| wikipedia-name | Sulfamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.294600000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 96.11099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.999348368 g/mol | RDKit |
