≥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.
| Sonrisas canónicas | C1CN(CCN1CCOCCOCCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl |
|---|---|
| IUPAC Name | 2-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethanol;dihydrochloride |
| InChIKey | RCCYSOYYXOWCJC-UHFFFAOYSA-N |
| INCHI | 1S/C25H33N3O4S.2ClH/c29-14-16-31-18-20-32-19-17-30-15-13-27-9-11-28(12-10-27)25-21-5-1-3-7-23(21)33-24-8-4-2-6-22(24)26-25;;/h1-8,29H,9-20H2;2*1H |
| Isómeros SMILES | C1CN(CCN1CCOCCOCCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl |
| PubChem CID | 76764700 |
| Peso molecular | 471.61 |
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 |
| Clase | Benzothiazepines |
| Subclass | Dibenzothiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzothiazepines |
| Alternative Parents | Diarylthioethers Polyethylene glycols N-alkylpiperazines Imidolactams Benzenoids Trialkylamines Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Primary alcohols Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzothiazepine - Diarylthioether - Polyethylene glycol - Aryl thioether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Imidolactam - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Thioether - Carboxylic acid amidine - Dialkyl ether - Azacycle - Ether - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring. |
| External Descriptors | Not available |
| Peso molecular | 471.600 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 471.219 Da |
| Monoisotopic Mass | 471.219 Da |
| Topological Polar Surface Area | 92.100 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 588.000 |
| 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-[2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]ethanol - ≥95% , CAS No.1356906-17-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)