Back to Search
Tinidazole
CAS: 19387-91-8 | C8H13N3O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19387-91-8
Molecular Formula:
C8H13N3O4S
Molecular Mass:
247.28 g/mol
Names and Synonyms:
Tinidazole
1H-Imidazole, 1-[2-(ethylsulfonyl)ethyl]-2-methyl-5-nitro-
Imidazole, 1-[2-(ethylsulfonyl)ethyl]-2-methyl-5-nitro-
1-[2-(Ethylsulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
Tinidazole
1-(Ethylsulfonylethyl)-2-methyl-5-nitroimidazole
CP 12574
Ethyl [2-(2-methyl-5-nitroimidazol-1-yl)ethyl] sulfone
Tinidazol
Glongyn
Fasigyn
Bioshik
Sorquetan
Trimonase
Simplotan
Fasigin
Tricolam
Pletil
Tiprogyn
Tini 300
Tindamax
Amtiba
1-(2-Ethylsulfonylethyl)-2-methyl-5-nitroimidazole
Protozol
1-[2′-(Ethylsulfonyl)-ethyl]-2-methyl-5-nitroimidazole
1-[2-(Ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
1-(2-Ethanesulfonyl-ethyl)-2-methyl-5-nitro-1H-imidazole
Sporinex
Identifiers:
SMILES:
CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
InChI:
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
Key Properties
Melting Point
127-128 °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 | 247.28 g/mol | CAS Common Chemistry |
| 247.27599999999998 g/mol | RDKit | |
| 247.062676896 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CN=C(N1CCS(=O)(=O)CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HJLSLZFTEKNLFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-128 °C | CAS Common Chemistry |
| Name | Tinidazole | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 95.1 Ų | RDKit |
| LogP | 0.5344200000000001 | RDKit |
| Molar Refractivity | 57.946200000000026 | RDKit |
