Back to Search
Diazald
CAS: 80-11-5 | C8H10N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-11-5
Molecular Formula:
C8H10N2O3S
Molecular Mass:
214.25 g/mol
Names and Synonyms:
Diazald
Benzenesulfonamide, N,4-dimethyl-N-nitroso-
p-Toluenesulfonamide, N-methyl-N-nitroso-
N,4-Dimethyl-N-nitrosobenzenesulfonamide
Diazald
N-Methyl-N-nitroso-p-toluenesulfonamide
p-Tolylsulfonylmethylnitrosamide
N-Nitroso-N-methyl-p-toluenesulfonamide
Diazale
N-Methyl-N-nitroso-4-tosylamide
N-Methyl-N-nitrosotoluene-4-sulfonamide
NSC 313
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)N(C)N=O)cc1
InChI:
InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3
Key Properties
Melting Point
62 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.25 g/mol | CAS Common Chemistry |
| 214.246 g/mol | RDKit | |
| 214.04121318 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diazald | CAS Common Chemistry |
| Canonical SMILES | O=NN(C)S(=O)(=O)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FFKZOUIEAHOBHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62 °C | CAS Common Chemistry |
| Name | N-Methyl-N-nitroso-p-toluenesulfonamide | CAS Common Chemistry |
| Diazald | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.81 Ų | RDKit |
| LogP | 1.29692 | RDKit |
| Molar Refractivity | 51.922800000000024 | RDKit |
