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Sulfamethizole
CAS: 144-82-1 | C9H10N4O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
144-82-1
Molecular Formula:
C9H10N4O2S2
Molecular Mass:
270.34 g/mol
Names and Synonyms:
Sulfamethizole
Benzenesulfonamide, 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
Sulfanilamide, N1-(5-methyl-1,3,4-thiadiazol-2-yl)-
4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Ayerlucil
Lucosil
5-Methyl-2-sulfanilamido-1,3,4-thiadiazole
N1-(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanilamide
Microsul
Rufol
Sulfamethizol
Sulfamethizole
Sulfamethylthiadiazole
2-Sulfanilamido-5-methyl-1,3,4-thiadiazole
Sulfstat
Sulfurine
Tetracid
Thidicur
Thiosulfil
Ultrasul
Urodiaton
Urolucosil
Urocydal
Sulphamethizole
Sulfamethiazole
2-Methyl-5-sulfanilamido-1,3,4-thiadiazole
Urosulfin
VK 53
Renasul
Sulfapyelon
Methazol
Famet
Salimol
Thiosulfil Forte
N-(5-Methyl-1,3,4-thiadiazol-2-yl)-4-aminobenzenesulfonamide
Identifiers:
SMILES:
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChI:
InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
Key Properties
Melting Point
208 °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 | 270.34 g/mol | CAS Common Chemistry |
| 270.339 g/mol | RDKit | |
| 270.02451756 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NC1=NN=C(S1)C)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=VACCAVUAMIDAGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208 °C | CAS Common Chemistry |
| Name | Sulfamethizole | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 97.97 Ų | RDKit |
| LogP | 1.2295199999999997 | RDKit |
| Molar Refractivity | 66.30890000000002 | RDKit |
