≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CCN1CCO)CC2=CC3=NSN=C3C=C2 |
|---|---|
| IUPAC Name | 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)piperazin-1-yl]ethanol |
| InChIKey | MKZDAOJIGCCQBX-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N4OS/c18-8-7-16-3-5-17(6-4-16)10-11-1-2-12-13(9-11)15-19-14-12/h1-2,9,18H,3-8,10H2 |
| Isomeric SMILES | C1CN(CCN1CCO)CC2=CC3=NSN=C3C=C2 |
| PubChem CID | 18526221 |
| Molecular Weight | 278.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiadiazoles |
| Alternative Parents | N-alkylpiperazines Aralkylamines Benzenoids Thiadiazoles Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,1,3-benzothiadiazole - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Alkanolamine - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 278.380 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 278.12 Da |
| Monoisotopic Mass | 278.12 Da |
| Topological Polar Surface Area | 80.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| 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 |
![2-[4-(2,1,3-Benzothiadiazol-5-ylmethyl)-piperazino]-1-ethanol - ≥97% , CAS No.874834-85-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)