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Molecule
Sodium Sulfathiazole
CAS: 144-74-1 · C9H9N3NaO2S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 144-74-1
- Molecular Formula
- C9H9N3NaO2S2
- Molecular Mass
- 278.31 g/mol
Identifiers
CAS Registry Number
144-74-1
SMILES
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.[Na]
InChI Key
RKXDGQFOLMYFFG-UHFFFAOYSA-N
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);
Names and Synonyms
- Sodium Sulfathiazole Common Name
- Benzenesulfonamide, 4-amino-N-2-thiazolyl-, sodium salt (1:1) Synonym
- Sulfanilamide, N1-2-thiazolyl-, monosodium salt Synonym
- Benzenesulfonamide, 4-amino-N-2-thiazolyl-, monosodium salt Synonym
- Sodium, (N1-2-thiazolylsulfanilamido)- Synonym
- Sulfathiazole, sodium deriv. Synonym
- Sodium norsulfazole Synonym
- Sodium 2-sulfanilamidothiazole Synonym
- Sodium sulfathiazole Synonym
- Soluble sulfathiazole Synonym
- 2-Sulfanilamidothiazole sodium salt Synonym
- Sulfathiazole sodium Synonym
- Sulfathiazole sodium salt Synonym
- Norsulfazole soluble Synonym
- Soluble norsulfazole Synonym
- Soluthiazomide Synonym
- 2-(p-Amino-N-sodiobenzenesulfonamide)thiazole Synonym
- Norsulfazole sodium Synonym
- Norsulfazol sodium Synonym
- Sulphathiazole sodium Synonym
- Norsulfazole sodium salt Synonym
- 2-(p-Aminobenzenesulfonamido)thiazole sodium salt Synonym
- Sodium sulfathiazolate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.31 g/mol | CAS Common Chemistry |
| 278.314 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 278.003387808 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 278.31 g/mol. Edit any field — others recompute live.
