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Tizoxanide
CAS: 173903-47-4 | C10H7N3O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
173903-47-4
Molecular Formula:
C10H7N3O4S
Molecular Mass:
265.25 g/mol
Names and Synonyms:
Tizoxanide
Benzamide, 2-hydroxy-N-(5-nitro-2-thiazolyl)-
2-Hydroxy-N-(5-nitro-2-thiazolyl)benzamide
Tizoxanide
NSC 697856
TIZ
2-Hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Identifiers:
SMILES:
O=[N+]([O-])c1cnc(N=C(O)c2ccccc2O)s1
InChI:
InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15)
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 | 265.25 g/mol | CAS Common Chemistry |
| 265.01572670400003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tizoxanide | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=NC=C(S1)N(=O)=O)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15) | CAS Common Chemistry |
| InChI Key | InChIKey=FDTZUTSGGSRHQF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tizoxanide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 108.85000000000001 Ų | RDKit |
| LogP | 2.3932000000000007 | RDKit |
| Molar Refractivity | 65.70100000000001 | RDKit |
