Back to Search
Molecule
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 Mass
- 96.11 g/mol
Identifiers
CAS Registry Number
7803-58-9
SMILES
NS(N)(=O)=O
InChI Key
NVBFHJWHLNUMCV-UHFFFAOYSA-N
InChI
InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Names and Synonyms
- Sulfamide Common Name
- Sulfamide Synonym
- Sulfamamide Synonym
- Sulfuryl amide Synonym
- Sulfuric diamide Synonym
- Sulfuryl diamide Synonym
- Imidosulfamic acid Synonym
- Sulfonyl diamide Synonym
- Sulphamide Synonym
- NSC 252 Synonym
- Sulfamoylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.11 g/mol | CAS Common Chemistry |
| 96.11099999999999 g/mol | RDKit | |
| 96.111 g/mol | RDKit | |
| 96.104 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfamide | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(N)N | CAS Common Chemistry |
| InChI | InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=NVBFHJWHLNUMCV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92 °C | CAS Common Chemistry |
| Name | Sulfamide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | -1.8514 | RDKit |
| Molar Refractivity | 17.294600000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 95.999348368 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 = 96.11 g/mol. Edit any field — others recompute live.
