365121 <common-name>2-amino-1-(4-methylsulfonylphenyl)ethanol</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>49757562</pubchem-id> <chemical-formula>C9H13NO3S</chemical-formula> <weight>215.27</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">2026-09-01T15:34:55Z</created-at> <updated-at type="dateTime">2026-09-01T15:34:55Z</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>CS(=O)(=O)C1=CC=C(C=C1)C(CN)O</moldb-smiles> <moldb-formula>C9H13NO3S</moldb-formula> <moldb-inchi>InChI=1S/C9H13NO3S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6,10H2,1H3</moldb-inchi> <moldb-inchikey>PJIINHIXSQPBBO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">215.0616145</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.6</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>CHEM361014</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>2-amino-1-(4-methylsulfonylphenyl)ethanol</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzenesulfonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315080</sync-id> <structure-inchikey>PJIINHIXSQPBBO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000100000000100000000000001000000020000002000000000000000000000000000000000000000000000000000000000000000000020000000000800001000000000000000080000010000000000000000000000000000000000000000000400000000000000000040000000000000000000000000001000080000000000000000000008000000000000000000002400080000000000000000000000080000000000000000000000000000000000000000000000100000000000000000000200000000000000000000000004000040000000040000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������(�������(������@(������@h�������@h�������@(������@h�������@h��������`�������`�������`�������`����������������������h���h���h���h�� h�� � ����� � �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:17Z</structure-indexed-at> </compound>