≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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 | 504764790 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764790 |
| Canonical Smiles | C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3 |
| IUPAC Name | 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one |
| InChIKey | YVBSNHLFRIVWFQ-UHFFFAOYSA-N |
| INCHI | 1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2 |
| Isomeric SMILES | C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3 |
| Molecular Weight | 317.41 |
| Reaxy-Rn | 29731634 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29731634&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 | N-alkylpiperazines Cyclopropanecarboxylic acids and derivatives Benzenoids Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2-benzothiazole - N-alkylpiperazine - Cyclopropanecarboxylic acid or derivatives - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen 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 |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2204991 | Certificate of Analysis | Mar 04, 2025 | L288383 |
| F2204992 | Certificate of Analysis | Mar 04, 2025 | L288383 |
| F2204993 | Certificate of Analysis | Mar 04, 2025 | L288383 |
| F2204994 | Certificate of Analysis | Mar 04, 2025 | L288383 |
| F2204995 | Certificate of Analysis | Mar 04, 2025 | L288383 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 31.74, Max Conc. mM: 100 |
|---|---|
| Sensitivity | light sensitive |
| Molecular Weight | 317.400 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 317.12 Da |
| Monoisotopic Mass | 317.12 Da |
| Topological Polar Surface Area | 69.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 460.000 |
| 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 |
