Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Riluzole is a drug used to treat amyotrophic lateral sclerosis.
| ALogP | 3.6 |
|---|
| Pubchem Sid | 488179874 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179874 |
| Sonrisas canónicas | C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N |
| IUPAC Name | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine |
| InChIKey | FTALBRSUTCGOEG-UHFFFAOYSA-N |
| 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) |
| Isómeros SMILES | C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N |
| WGK Alemania | 3 |
| RTECS | DL2830000 |
| PubChem CID | 5070 |
| Peso molecular | 234.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | 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 |
| Descripción | 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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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Apr 03, 2026 | R129533 | |
| Certificate of Analysis | Apr 03, 2026 | R129533 | |
| Certificate of Analysis | Apr 03, 2026 | R129533 | |
| Certificate of Analysis | Apr 03, 2026 | R129533 | |
| Certificate of Analysis | Feb 04, 2026 | R129533 | |
| 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 |
| Solubilidad | DMSO 47 mg/mL Water Ethanol 47 mg/mL |
|---|---|
| Punto de fusión (°C) | 118 °C |
| Peso molecular | 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 |
| 1. Yu Li, Huimin Niu, Zidan Cao, Zheqi Wang, Jiao Sha, Liukai Zhu, Fengxin Guo, Yuanhui Chong, Tao Li, Baozeng Ren. (2021) Equilibrium solubility, model evaluation and molecular dynamic simulation of riluzole in three binary solvents from 278.15 K to 323.15 K. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2021.106714] |
| 2. Huimin Niu, Zidan Cao, Xiaoqing Yang, Jiao Sha, Yu Li, Tao Li, Baozeng Ren. (2021) The solubility data, Hansen solubility parameter and dissolution thermodynamic properties of riluzole in twelve organic solvents. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2021.106569] |
| 3. Yanan Liu, Guixue Chen, Maojian Li, Man Li, Daoxuan Xie, Zheng Luo. (2025) Development of long-acting riluzole transdermal patch against amyotrophic lateral sclerosis: Mechanistic insights into polyglyceryl-3 dioleate-enhanced drug release and skin permeation. International Journal of Pharmaceutics-X, [PMID:40735390] [10.1016/j.ijpx.2025.100363] |
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