≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COC1=CC2=C(C=C1)SCCNC2 |
|---|---|
| IUPAC Name | 7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine |
| InChIKey | VXSSDKLUAZVADY-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NOS/c1-12-9-2-3-10-8(6-9)7-11-4-5-13-10/h2-3,6,11H,4-5,7H2,1H3 |
| Isómeros SMILES | COC1=CC2=C(C=C1)SCCNC2 |
| CAS alternativo | 145903-31-7 |
| PubChem CID | 11805628 |
| Peso molecular | 195.28 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazepines |
| Alternative Parents | Anisoles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazepine - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Benzenoid - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Thioether - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms). |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| 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 |
|---|
| Peso molecular | 195.280 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 195.072 Da |
| Monoisotopic Mass | 195.072 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| 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 |
![7-Methoxy-2，3，4，5-tetrahydrobenzo[f][1，4]thiazepine - ≥95% CAS No(145903-31-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/7/M726303.jpg)