<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362922</id>
  <title nil="true"/>
  <common-name>4-(2-methylsulfanylethyl)pyridine</common-name>
  <description>4-(2-methylsulfanylethyl)pyridine is a chemical compound with the formula C8H11NS. It has an average molecular weight of 153.25 g/mol.</description>
  <cas>124528-30-9</cas>
  <pubchem-id>3077492</pubchem-id>
  <chemical-formula>C8H11NS</chemical-formula>
  <weight>153.25</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-09-01T12:21:53Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:21:53Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CSCCC1=CC=NC=C1</moldb-smiles>
  <moldb-formula>C8H11NS</moldb-formula>
  <moldb-inchi>InChI=1S/C8H11NS/c1-10-7-4-8-2-5-9-6-3-8/h2-3,5-6H,4,7H2,1H3</moldb-inchi>
  <moldb-inchikey>GYTOAHURFFSZJP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">153.0612205</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM358815</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-(2-methylsulfanylethyl)pyridine</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0312970</sync-id>
  <structure-inchikey>GYTOAHURFFSZJP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000000000000800000000800000000000000000000000000000000000000000000000000000000000000002100200000000000000000000000040000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040040200000000000000000000000000002000000800000001000000000000000000000000000000000080000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000220000000000000000000000000002040000000000000000200000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>800080020000000000000000200000000000000400000000004202000004400000000080000000000100020000000420002000042000000044300020000080110000020000000000000000420000000101104000010200000420000000000c2004040000020000000000400000002000003000008000110808000011000200400000044000000c00000008000000100c00024400008000000800000040004003000000004000000008000004000002c0000000400840000000000000001000000004240002000180000000000000000000000000400000000000080000000000080000010000000000100003000000000010004000020000000052000000</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABBgBgAAAAAQMQACAAAAAC
BgBgAAAAAgIGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBB0Ao
AAAAAwMGQGgAAAADAwEGQGgAAAADAwELAAEAAQIAAgMAAwQABAVoDAUGaAwG
B2gMBwhoDAgJaAwJBGgMQgEAAAAGBAkIBwYFFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:48Z</structure-indexed-at>
</compound>
