≥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 | CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42 |
|---|---|
| IUPAC Name | 6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine |
| InChIKey | SFMINLHQDVFHIR-UHFFFAOYSA-N |
| INCHI | 1S/C18H19N3S/c1-20-10-12-21(13-11-20)18-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19-18/h2-9H,10-13H2,1H3 |
| Molecular Weight | 309.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazepines |
| Subclass | Dibenzothiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzothiazepines |
| Alternative Parents | Diarylthioethers N-methylpiperazines Imidolactams Benzenoids Trialkylamines Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzothiazepine - Diarylthioether - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Imidolactam - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid amidine - Azacycle - Amidine - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 309.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 309.13 Da |
| Monoisotopic Mass | 309.13 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| 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 |
