≥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 | CC1=C2C(=C(C=C1)Cl)SC(=N2)NCC3=CN=CC=C3 |
|---|---|
| IUPAC Name | 7-chloro-4-methyl-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine |
| InChIKey | RYENHHAMSPORRT-UHFFFAOYSA-N |
| INCHI | 1S/C14H12ClN3S/c1-9-4-5-11(15)13-12(9)18-14(19-13)17-8-10-3-2-6-16-7-10/h2-7H,8H2,1H3,(H,17,18) |
| Isomeric SMILES | CC1=C2C(=C(C=C1)Cl)SC(=N2)NCC3=CN=CC=C3 |
| PubChem CID | 42281707 |
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 | Secondary alkylarylamines Pyridines and derivatives Benzenoids Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - 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 | 289.800 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 289.044 Da |
| Monoisotopic Mass | 289.044 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 304.000 |
| 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 |
