365120 <common-name>2-methoxy-5-(methylsulfonylmethyl)aniline</common-name> <description>2-methoxy-5-(methylsulfonylmethyl)aniline is a chemical compound with the formula C9H13NO3S. It has an average molecular weight of 215.27 g/mol.</description> <cas>1116229-63-0</cas> <pubchem-id>59441749</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">2026-09-01T15:34:48Z</created-at> <updated-at type="dateTime">2026-09-01T15:34:48Z</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>COC1=C(C=C(C=C1)CS(=O)(=O)C)N</moldb-smiles> <moldb-formula>C9H13NO3S</moldb-formula> <moldb-inchi>InChI=1S/C9H13NO3S/c1-13-9-4-3-7(5-8(9)10)6-14(2,11)12/h3-5H,6,10H2,1-2H3</moldb-inchi> <moldb-inchikey>IRKPJECEZMJZCT-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>0.5</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>CHEM361013</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-methoxy-5-(methylsulfonylmethyl)aniline</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>Phenol ethers</klass> <subklass>Aminophenyl ethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315079</sync-id> <structure-inchikey>IRKPJECEZMJZCT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000800200000000000000000000000000000000000000400000000000000200000000020000000000000000000000000020000000000000000000000000000000000000008000000020000000000900000000080000000000000000000000000040000000100000000200000000000000000000000000000000800040000000000000000000000000001480000000000000000000000000000000000000000000000000080000000000000000004000080000000000000080000000000000000000000000000000000000000000000000000220000000000000000000000000000040000000000000000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>100000008922020080000000012820000000040000052000203420408200000c44020010008000000000010000800000042000a0008c30050000443000a0400084110400020006010090500000e21000005005804010013240000420000201000c3004060048820008008000c010000120008010010180045118000002110002004000080c4400080c00220008080008110c0012440014820200080000004080404300001000400000000840013c211002c00000804108405000021000400a1000000084244000120180000000010280000000000200400009000000080001000000001000010000000000030012200000100010004000024008000050000400</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>