Showing Compound Card for 4-Methylthiopyridine (CDB006395)
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| Version | 1.0 | |||||||||||||||
| Created at | 2021-01-13 17:44:20 UTC | |||||||||||||||
| Updated at | 2021-01-13 17:44:21 UTC | |||||||||||||||
| CannabisDB ID | CDB006395 | |||||||||||||||
| Secondary Accession Numbers | Not Available | |||||||||||||||
| Cannabis Compound Identification | ||||||||||||||||
| Common Name | 4-Methylthiopyridine | |||||||||||||||
| Description | 4-Methylthiopyridine or 4-(methylthio)pyridine belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. 4-Methylthiopyridine is one of three structural isomers of methylthiopyridine wherein the methylthio group is substituted at the 2-, 3- or 4- positions of the pyridine ring. Methylthiopyridines are found in marijuana (cannabis) smoke. 4-Methylthiopyridine is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). | |||||||||||||||
| Structure |  | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C6H7NS | |||||||||||||||
| Average Molecular Weight | 125.19 | |||||||||||||||
| Monoisotopic Molecular Weight | 125.029920403 | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CSC1=CC=NC=C1 | |||||||||||||||
| InChI Identifier | InChI=1S/C6H7NS/c1-8-6-2-4-7-5-3-6/h2-5H,1H3 | |||||||||||||||
| InChI Key | XCHSSZMKKXPBAI-UHFFFAOYSA-N | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Description | Belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. | |||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||
| Super Class | Organosulfur compounds | |||||||||||||||
| Class | Thioethers | |||||||||||||||
| Sub Class | Aryl thioethers | |||||||||||||||
| Direct Parent | Aryl thioethers | |||||||||||||||
| Alternative Parents | ||||||||||||||||
| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | |||||||||||||||
| External Descriptors | Not Available | |||||||||||||||
| Ontology | ||||||||||||||||
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| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Pathways | Not Available | |||||||||||||||
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| Enzymes | Not Available | |||||||||||||||
| Transporters | Not Available | |||||||||||||||
| Metal Bindings | Not Available | |||||||||||||||
| Receptors | Not Available | |||||||||||||||
| Transcriptional Factors | Not Available | |||||||||||||||
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| HMDB ID | Not Available | |||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||
| Chemspider ID | 124317 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 140938 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||
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| General References | Not Available | |||||||||||||||