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Record Information
Version1.0
Created at2021-01-13 17:44:20 UTC
Updated at2021-01-13 17:44:21 UTC
CannabisDB IDCDB006395
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name4-Methylthiopyridine
Description4-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
Thumb
SynonymsNot Available
Chemical FormulaC6H7NS
Average Molecular Weight125.19
Monoisotopic Molecular Weight125.029920403
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CSC1=CC=NC=C1
InChI Identifier
InChI=1S/C6H7NS/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
InChI KeyXCHSSZMKKXPBAI-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.
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassThioethers
Sub ClassAryl thioethers
Direct ParentAryl thioethers
Alternative Parents
Substituents
  • Aryl thioether
  • Alkylarylthioether
  • Pyridine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Sulfenyl compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Not Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Spectra
Pathways
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Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID124317
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound140938
PDB IDNot Available
ChEBI IDNot Available
References
General ReferencesNot Available