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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=NN=C(N1N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 |
|---|---|
| IUPAC Name | 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone |
| InChIKey | BKZZLFIIADLHJQ-UHFFFAOYSA-N |
| INCHI | 1S/C17H15N5OS2/c1-11-19-20-17(22(11)18)24-10-16(23)21-12-6-2-4-8-14(12)25-15-9-5-3-7-13(15)21/h2-9H,10,18H2,1H3 |
| Molecular Weight | 369.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazines |
| Subclass | Phenothiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenothiazines |
| Alternative Parents | Diarylthioethers Alkylarylthioethers Benzenoids 1,4-thiazines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenothiazine - Diarylthioether - Aryl thioether - Alkylarylthioether - Para-thiazine - Benzenoid - Azole - Tertiary carboxylic acid amide - 1,2,4-triazole - Heteroaromatic compound - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 369.500 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 369.072 Da |
| Monoisotopic Mass | 369.072 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 474.000 |
| 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-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone , CAS No.540499-68-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)