2-Amino-5-nitrothiazole - CAS 121-66-4
Catalog: |
BB005236 |
Product Name: |
2-Amino-5-nitrothiazole |
CAS: |
121-66-4 |
Synonyms: |
5-nitro-1,3-thiazol-2-amine |
IUPAC Name: | 5-nitro-1,3-thiazol-2-amine |
Description: | Niltazoxanide USP Related Compound A 2-Amino-5-nitrothiazole. |
Molecular Weight: | 145.14 |
Molecular Formula: | C3H3N3O2S |
Canonical SMILES: | C1=C(SC(=N1)N)[N+](=O)[O-] |
InChI: | InChI=1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5) |
InChI Key: | MIHADVKEHAFNPG-UHFFFAOYSA-N |
Boiling Point: | 345.1 °C at 760 mmHg |
Melting Point: | 196-204 °C |
Purity: | 98 % |
Density: | 1.682 g/cm3 |
Solubility: | less than 1 mg/mL at 68 °F |
Appearance: | Greenish-yellow to orange-yellow fluffy powder or a brown chunky powder. slightly bitter taste. used as a veterinary medicine. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
Decomposition: | When heated to decomposition it emits very toxic fumes of /nitroxides and sulfuric acid |
MDL: | MFCD00005326 |
LogP: | 1.73790 |
Vapor Pressure: | 0.000743 [mmHg] |
GHS Hazard Statement: | H302 (88.71%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112986449-A | Method for detecting 2-amino-5-nitrothiazole genotoxic impurities in nitazoxanide | 20210427 |
CN-112957358-A | Application of nitazoxanide and derivatives thereof in preparing medicines for preventing and treating bone destructive diseases | 20210401 |
CN-112409812-A | Preparation method of novel heterocyclic nitrogen-coupled disperse dye | 20201130 |
CN-112094508-A | Solvent-free coupling synthesis process of disperse blue 360 | 20200911 |
CN-111544431-A | Application of nitazoxanide in preparing medicine for preventing and treating interstitial lung disease | 20200623 |
PMID | Publication Date | Title | Journal |
22349058 | 20120501 | Assessment of the sensitizing potential of textile disperse dyes and some of their metabolites by the loose-fit coculture-based sensitization assay (LCSA) | Archives of toxicology |
22321216 | 20120301 | Towards the preparation of radiolabeled 1-aryl-3-benzyl ureas: Radiosynthesis of [(11)C-carbonyl] AR-A014418 by [(11)C]CO(2) fixation | Bioorganic & medicinal chemistry letters |
22589723 | 20120101 | Nitazoxanide stimulates autophagy and inhibits mTORC1 signaling and intracellular proliferation of Mycobacterium tuberculosis | PLoS pathogens |
21588684 | 20100818 | N-(4-Meth-oxy-phen-yl)-N'-(5-nitro-1,3-thia-zol-2-yl)urea | Acta crystallographica. Section E, Structure reports online |
20488706 | 20100615 | Biological activity of modified and exchanged 2-amino-5-nitrothiazole amide analogues of nitazoxanide | Bioorganic & medicinal chemistry letters |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.99459752 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.99459752 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 113 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Oxazole/Thiazole
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