7851 <common-name>4-METHYL-5-THIAZOLEETHANOL ACETATE</common-name> <description>4-METHYL-5-THIAZOLEETHANOL ACETATE is an organoheterocyclic compound with the formula C8H11NO2S and an average molecular weight of 185.24 g/mol. 4-METHYL-5-THIAZOLEETHANOL ACETATE belongs to the thiazoles, a subclass of azoles within the organic compounds. In industrial applications, this compound is utilized as a fragrance, as well as a flavouring and nutrient.</description> <cas>656-53-1</cas> <pubchem-id>61192</pubchem-id> <chemical-formula>C8H11NO2S</chemical-formula> <weight>185.25</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">2016-05-19T02:17:16Z</created-at> <updated-at type="dateTime">2026-08-24T12:41:08Z</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)OCCC1=C(C)N=CS1</moldb-smiles> <moldb-formula>C8H11NO2S</moldb-formula> <moldb-inchi>InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>CRTCWNPLKVVXIX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">185.243</moldb-average-mass> <moldb-mono-mass type="decimal">185.051049291</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>55136</chemspider-id> <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>CHEM006746</chemdb-id> <dsstox-id>DTXSID8060959</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022635</susdat-id> <iupac>2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate</iupac> <moldb-polar-surface-area>39.19</moldb-polar-surface-area> <moldb-refractivity>46.4748</moldb-refractivity> <moldb-polarizability>19.15310349616727</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>2.5175128892418193</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.45</moldb-alogps-logp> <moldb-alogps-logs>-2.44</moldb-alogps-logs> <moldb-alogps-solubility>6.78e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Thiazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0019799</sync-id> <structure-inchikey>CRTCWNPLKVVXIX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000020000000800802000000000010400000000000000000002000000000000000001080000000000000002000000000000000000000000000000000400000000000000000000000000000000020000010000100000000000000000000000000010000000002000000000000000000080000000000000000000000400010000040000000000000000000000000000000000080000000001000000000000000000000000000000000080000000000000000080000000000000000000000000001000000000000000000000000000000000000002100000000000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYAYAAAAAICBkAoAAAAAwQGQCgA AAADBAYAYAAAAAEDB0AoAAAAAwMGQGgAAAADAwEQQCgAAAADAgsAAQABAigC AQMgAwQABAUABQYABgdoDAcIAAcJaAwJCmgMCgtoDAsGaAxCAQAAAAUGBwkK CxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:03:04Z</structure-indexed-at> </compound>