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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1COC2=C(O1)C=CC(=C2)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 |
|---|---|
| IUPAC Name | 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole |
| InChIKey | OTZDFDJHVMDPTA-UHFFFAOYSA-N |
| INCHI | 1S/C19H15N3O2S2/c1-2-4-14(5-3-1)15-12-26-19-21-20-18(22(15)19)25-11-13-6-7-16-17(10-13)24-9-8-23-16/h1-7,10,12H,8-9,11H2 |
| Molecular Weight | 381.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxanes |
| Subclass | Benzo-1,4-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,4-dioxanes |
| Alternative Parents | Triazolothiazoles Alkylarylthioethers Alkyl aryl ethers Para dioxins Benzene and substituted derivatives Triazoles Thiazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,4-dioxane - Aryl thioether - Triazolothiazole - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Azole - Heteroaromatic compound - Thiazole - 1,2,4-triazole - Ether - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring. |
| External Descriptors | Not available |
| Molecular Weight | 381.500 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 381.061 Da |
| Monoisotopic Mass | 381.061 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 480.000 |
| 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 |
![3-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole , CAS No.690961-65-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)