<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">87437</id>
  <title nil="true"/>
  <common-name>A-methylthiophene-2-methanol</common-name>
  <description>A-methylthiophene-2-methanol belongs to the heteroaromatic compounds, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C6H8OS and an average molecular weight of 128.19 g/mol.</description>
  <cas>2309-47-9</cas>
  <pubchem-id>102782</pubchem-id>
  <chemical-formula>C6H8OS</chemical-formula>
  <weight>128.19</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">2026-04-04T22:13:53Z</created-at>
  <updated-at type="dateTime">2026-08-23T15:33:54Z</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>CC(O)C1=CC=CS1</moldb-smiles>
  <moldb-formula>C6H8OS</moldb-formula>
  <moldb-inchi>InChI=1/C6H8OS/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3</moldb-inchi>
  <moldb-inchikey>WUNFIVTVJXZDDJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">128.19</moldb-average-mass>
  <moldb-mono-mass type="decimal">128.0295859</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM083330</chemdb-id>
  <dsstox-id>DTXSID60945766</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00048013</susdat-id>
  <iupac>1-thiophen-2-ylethanol</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>Heteroaromatic compounds</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0138088</sync-id>
  <structure-inchikey>WUNFIVTVJXZDDJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40020000000000000000000000000000000000000000000000000000100040000000001100000000000000000000000100000000000000000010000000000000000000010000000000000000000000000000000010200000000000000000000000000000010000000000000000000000000000000000000000000000100000000000000040000000800000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000200000000000800000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>1000000000002000000000000002000000080000004000001200240020000044000000000800000001001000080000004200000208c00010007442000a0000480110000001000000000000004620000000000404001002200000024000001000c2004000000000020000000442080012000801000002004150800200010000240410000040000000800000208080000100400024400000000008800080000044041000000004000000008000124001002c0000000000840080000000000000000000000040000000080000020000000000000000000402000000004080000000000080000090000000000000000000400000000004002080000012050010000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@h�������@h�������@h�������@(�����������������h���h���h���h���h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:31:28Z</structure-indexed-at>
</compound>
