Determine the necessary mass, volume, or concentration for preparing a solution.
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≥97% 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 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488191024 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191024 |
| Canonical Smiles | C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)N |
| IUPAC Name | 2-(1,3-benzothiazol-2-yl)aniline |
| InChIKey | RAASYFFQTCWEKN-UHFFFAOYSA-N |
| INCHI | 1S/C13H10N2S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2 |
| Isomeric SMILES | C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)N |
| WGK Germany | 3 |
| UN Number | 2811 |
| Packing Group | III |
| Molecular Weight | 226.3 |
| Reaxy-Rn | 173027 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=173027&ln= |
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 |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Aniline and substituted anilines Thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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 |
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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 19, 2026 | A169345 | |
| Certificate of Analysis | Jan 19, 2026 | A169345 | |
| Certificate of Analysis | Jan 19, 2026 | A169345 | |
| Certificate of Analysis | Jan 19, 2026 | A169345 | |
| Certificate of Analysis | Jan 19, 2026 | A169345 | |
| Certificate of Analysis | Jan 19, 2026 | A169345 | |
| Certificate of Analysis | Jan 08, 2025 | A169345 | |
| Certificate of Analysis | May 04, 2022 | A169345 | |
| Certificate of Analysis | May 04, 2022 | A169345 |
| Melt Point(°C) | 126-130°C |
|---|---|
| Molecular Weight | 226.300 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 226.056 Da |
| Monoisotopic Mass | 226.056 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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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| 13. Zhang H., Wu J., Zhu F., Zhang X., Zhu X.. (2019) One-Pot Synthesis of Ricinoleic Acid Diethanolamide Triglycidyl Ether. CHEMISTRY OF NATURAL COMPOUNDS, 55 (1): (172-174). [PMID:] [10.1007/s10600-019-02646-2] |
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