Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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R129533-1g
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1g |
3
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$205.90
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|
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R129533-5g
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5g |
3
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$927.90
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R129533-25g
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25g |
3
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$4,171.90
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R129533-100g
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100g |
2
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$15,017.90
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|
| Synonyms | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine | 6-(trifluoromethoxy)benzo[d]thiazol-2-amine | Bio1_001394 | RILUZOLE [JAN] | RILUZOLE [USP MONOGRAPH] | RILUZOLE [WHO-DD] | 2-Benzothiazolamine, 6-(trifluoromethoxy)- | 7LJ087RS6F | CHEBI:8863 | N07XX02 | RI |
|---|---|
| Specifications & Purity | Moligand™, ≥98% |
| Biochemical and Physiological Mechanisms | Glutamate release inhibitor; anticonvulsant |
| Shipped In | Normal |
| Grade | Moligand™ |
| Action Type | ACTIVATOR, BLOCKER, CHANNEL BLOCKER, GATING INHIBITOR |
| Mechanism of action | Sodium channel alpha subunit blocker |
| Product Description |
Riluzole is a drug used to treat amyotrophic lateral sclerosis. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Trihalomethanes Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Trihalomethane - Azacycle - Amine - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | benzothiazoles |
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| ALogP | 3.6 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 488179874 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179874 |
| IUPAC Name | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine |
| INCHI | InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13) |
| InChIKey | FTALBRSUTCGOEG-UHFFFAOYSA-N |
| Smiles | C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N |
| Isomeric SMILES | C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N |
| WGK Germany | 3 |
| RTECS | DL2830000 |
| PubChem CID | 5070 |
| Molecular Weight | 234.2 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 25, 2023 | R129533 | |
| Certificate of Analysis | Jan 11, 2023 | R129533 | |
| Certificate of Analysis | Jan 11, 2023 | R129533 | |
| Certificate of Analysis | Jan 11, 2023 | R129533 | |
| Certificate of Analysis | Aug 25, 2022 | R129533 | |
| Certificate of Analysis | Aug 25, 2022 | R129533 | |
| Certificate of Analysis | Aug 20, 2022 | R129533 | |
| Certificate of Analysis | Aug 20, 2022 | R129533 | |
| Certificate of Analysis | Aug 20, 2022 | R129533 | |
| Certificate of Analysis | Aug 20, 2022 | R129533 |
| Solubility | DMSO 47 mg/mL Water Ethanol 47 mg/mL |
|---|---|
| Melt Point(°C) | 118 °C |
| Molecular Weight | 234.200 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.007 Da |
| Monoisotopic Mass | 234.007 Da |
| Topological Polar Surface Area | 76.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 238.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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