≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504767584 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767584 |
| Canonical Smiles | C1=CC2=C(C=C1N)SC(=N2)C#N |
| IUPAC Name | 6-amino-1,3-benzothiazole-2-carbonitrile |
| InChIKey | ZOHSEULTWOYIMS-UHFFFAOYSA-N |
| INCHI | 1S/C8H5N3S/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,10H2 |
| Isomeric SMILES | C1=CC2=C(C=C1N)SC(=N2)C#N |
| Molecular Weight | 175.2 |
| Reaxy-Rn | 1567902 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1567902&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 | Benzenoids Thiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2621191 | Certificate of Analysis | Apr 11, 2026 | A186547 |
| D2621192 | Certificate of Analysis | Apr 11, 2026 | A186547 |
| D2621194 | Certificate of Analysis | Apr 11, 2026 | A186547 |
| B2209004 | Certificate of Analysis | Oct 30, 2025 | A186547 |
| B2209005 | Certificate of Analysis | Oct 30, 2025 | A186547 |
| B2209006 | Certificate of Analysis | Oct 30, 2025 | A186547 |
| Boil Point(°C) | ~384.9 C at 760 mmHg (Predicted) |
|---|---|
| Melt Point(°C) | 134.44° C (Predicted) |
| Molecular Weight | 175.210 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 175.02 Da |
| Monoisotopic Mass | 175.02 Da |
| Topological Polar Surface Area | 90.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 222.000 |
| 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 |
