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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CCC12NC(=O)CS2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-thia-4,8-diazaspiro[4.5]decan-3-one |
| InChIKey | IAMTVNIHOIPSIE-UHFFFAOYSA-N |
| INCHI | 1S/C13H13ClF3N3OS/c14-9-5-8(13(15,16)17)6-18-11(9)20-3-1-12(2-4-20)19-10(21)7-22-12/h5-6H,1-4,7H2,(H,19,21) |
| Isomeric SMILES | C1CN(CCC12NC(=O)CS2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| PubChem CID | 51000260 |
| Molecular Weight | 351.78 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azaspirodecane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azaspirodecane derivatives |
| Alternative Parents | Dialkylarylamines Aminopyridines and derivatives Piperidines Aryl chlorides Imidolactams Thiazolidines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Azaspirodecane - Dialkylarylamine - Aminopyridine - Aryl chloride - Aryl halide - Imidolactam - Piperidine - Pyridine - Heteroaromatic compound - Thiazolidine - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Thioether - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 351.780 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 351.042 Da |
| Monoisotopic Mass | 351.042 Da |
| Topological Polar Surface Area | 70.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| 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 |
![8-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-thia-4,8-diazaspiro[4.5]decan-3-one , CAS No.1246738-29-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)