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Sodium Sulfathiazole
CAS: 144-74-1 | C9H9N3NaO2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
144-74-1
Molecular Formula:
C9H9N3NaO2S2
Molecular Mass:
278.31 g/mol
Names and Synonyms:
Sodium Sulfathiazole
Benzenesulfonamide, 4-amino-N-2-thiazolyl-, sodium salt (1:1)
Sulfanilamide, N1-2-thiazolyl-, monosodium salt
Benzenesulfonamide, 4-amino-N-2-thiazolyl-, monosodium salt
Sodium, (N1-2-thiazolylsulfanilamido)-
Sulfathiazole, sodium deriv.
Sodium norsulfazole
Sodium 2-sulfanilamidothiazole
Sodium sulfathiazole
Soluble sulfathiazole
2-Sulfanilamidothiazole sodium salt
Sulfathiazole sodium
Sulfathiazole sodium salt
Norsulfazole soluble
Soluble norsulfazole
Soluthiazomide
2-(p-Amino-N-sodiobenzenesulfonamide)thiazole
Norsulfazole sodium
Norsulfazol sodium
Sulphathiazole sodium
Norsulfazole sodium salt
2-(p-Aminobenzenesulfonamido)thiazole sodium salt
Sodium sulfathiazolate
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.[Na]
InChI:
InChI=1S/C9H9N3O2S2.Na/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;/h1-6H,10H2,(H,11,12);
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 | 278.31 g/mol | CAS Common Chemistry |
| 278.314 g/mol | RDKit | |
| 278.003387808 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(NC1=NC=CS1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9N3O2S2.Na/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;/h1-6H,10H2,(H,11,12); | CAS Common Chemistry |
| InChI Key | InChIKey=RKXDGQFOLMYFFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium sulfathiazole | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 85.08 Ų | RDKit |
| LogP | 1.1453 | RDKit |
| Molar Refractivity | 69.5309 | RDKit |
