≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C2C(=C1)N=C(S2)C(CC#N)(C(F)(F)F)O |
|---|---|
| IUPAC Name | 3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxybutanenitrile |
| InChIKey | ZCTBKENXWAJCIN-UHFFFAOYSA-N |
| INCHI | 1S/C11H7F3N2OS/c12-11(13,14)10(17,5-6-15)9-16-7-3-1-2-4-8(7)18-9/h1-4,17H,5H2 |
| Molecular Weight | 272.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Benzenoids Thiazoles Tertiary alcohols Heteroaromatic compounds Fluorohydrins Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Benzenoid - Azole - Heteroaromatic compound - Tertiary alcohol - Thiazole - Fluorohydrin - Halohydrin - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Aromatic alcohol - 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 | Not available |
| Molecular Weight | 272.250 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 272.023 Da |
| Monoisotopic Mass | 272.023 Da |
| Topological Polar Surface Area | 85.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 367.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
