Back to Search
Molecule
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
Identifiers
CAS Registry Number
144-82-1
SMILES
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChI Key
VACCAVUAMIDAGB-UHFFFAOYSA-N
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)
Names and Synonyms
- Sulfamethizole Common Name
- Benzenesulfonamide, 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)- Synonym
- Sulfanilamide, N1-(5-methyl-1,3,4-thiadiazol-2-yl)- Synonym
- 4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Synonym
- Ayerlucil Synonym
- Lucosil Synonym
- 5-Methyl-2-sulfanilamido-1,3,4-thiadiazole Synonym
- N1-(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanilamide Synonym
- Microsul Synonym
- Rufol Synonym
- Sulfamethizol Synonym
- Sulfamethizole Synonym
- Sulfamethylthiadiazole Synonym
- 2-Sulfanilamido-5-methyl-1,3,4-thiadiazole Synonym
- Sulfstat Synonym
- Sulfurine Synonym
- Tetracid Synonym
- Thidicur Synonym
- Thiosulfil Synonym
- Ultrasul Synonym
- Urodiaton Synonym
- Urolucosil Synonym
- Urocydal Synonym
- Sulphamethizole Synonym
- Sulfamethiazole Synonym
- 2-Methyl-5-sulfanilamido-1,3,4-thiadiazole Synonym
- Urosulfin Synonym
- VK 53 Synonym
- Renasul Synonym
- Sulfapyelon Synonym
- Methazol Synonym
- Famet Synonym
- Salimol Synonym
- Thiosulfil Forte Synonym
- N-(5-Methyl-1,3,4-thiadiazol-2-yl)-4-aminobenzenesulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.34 g/mol | CAS Common Chemistry |
| 270.339 g/mol | RDKit | |
| 270.325 g/mol | chempirical lib | |
| 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 |
| 1.2295 | RDKit | |
| Molar Refractivity | 66.30890000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 270.02451756 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 = 270.34 g/mol. Edit any field — others recompute live.
