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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CSCC1=NOC(=N1)CCl |
|---|---|
| IUPAC Name | 5-(chloromethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole |
| InChIKey | PIGMOPKKZYRENN-UHFFFAOYSA-N |
| INCHI | 1S/C5H7ClN2OS/c1-10-3-4-7-5(2-6)9-8-4/h2-3H2,1H3 |
| Isómeros SMILES | CSCC1=NOC(=N1)CCl |
| WGK Alemania | 3 |
| Peso molecular | 178.64 |
| Reaxy-Rn | 45795534 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45795534&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,2,4-oxadiazoles |
| Alternative Parents | Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2,4-oxadiazole - Heteroaromatic compound - Thioether - Sulfenyl compound - Dialkylthioether - Azacycle - Oxacycle - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,2,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 2, and 4, respectively. |
| External Descriptors | Not available |
| Peso molecular | 178.640 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 177.997 Da |
| Monoisotopic Mass | 177.997 Da |
| Topological Polar Surface Area | 64.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 106.000 |
| 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 |
![5-(Chloromethyl)-3-[(methylthio)methyl]-1,2,4-oxadiazole - CAS No(229343-09-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/1/C168800.png)