≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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 | 528770995 |
|---|---|
| Canonical Smiles | C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O |
| IUPAC Name | 5-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one |
| InChIKey | HTJXMOGUGMSZOG-UHFFFAOYSA-N |
| INCHI | 1S/C15H18ClN3O3S/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20/h1-2,9,20H,3-8,10H2 |
| Isomeric SMILES | C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O |
| PubChem CID | 5469 |
| Molecular Weight | 355.8 |
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 Aryl chlorides Benzenoids Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Trialkylamines Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Azole - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Azacycle - Alkanolamine - Carboxylic acid derivative - Alcohol - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - 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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| Molecular Weight | 355.800 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 355.076 Da |
| Monoisotopic Mass | 355.076 Da |
| Topological Polar Surface Area | 89.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 459.000 |
| 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 |
L2525567