70681 <common-name>Carbamothioic acid, methyl-, O-(1-methylethyl) ester</common-name> <description nil="true"/> <cas>20753-31-5</cas> <pubchem-id>3034325</pubchem-id> <chemical-formula>C5H11N1O1S1</chemical-formula> <weight>133.21</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">2026-04-03T17:23:47Z</created-at> <updated-at type="dateTime">2026-08-22T20:39:21Z</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>CN=C(S)OC(C)C</moldb-smiles> <moldb-formula>C5H11N1O1S1</moldb-formula> <moldb-inchi>InChI=1S/C5H11NOS/c1-4(2)7-5(8)6-3/h4H,1-3H3,(H,6,8)</moldb-inchi> <moldb-inchikey>RTXYXJGGTDHOGH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">133.21</moldb-average-mass> <moldb-mono-mass type="decimal">133.056135</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2298806</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>CHEM066574</chemdb-id> <dsstox-id>DTXSID6066650</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00026728</susdat-id> <iupac>O-propan-2-yl N-methylcarbamothioate</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>Organosulfur compounds</superklass> <klass>Thiocarbonyl compounds</klass> <subklass>Thiocarbamic acid derivatives</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0057933</sync-id> <structure-inchikey>RTXYXJGGTDHOGH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000400000000000002200000000000000000000000040000000000001000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000100002004000000000000000000010000000000000000000000000000000001000000000000000000000000000040000000000000000000000000000000000000000000000000000000001000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000200000000000000000</structure-fingerprint> <structure-pattern-fingerprint>80000000020000000000000000000000000000040000002000c0000000006000209000800000000001000000000004200000000400000000642000a000008011000000000000000000000042000000000000400000020000000000000182042000080000000000000000402000002000801009002004113800000010000240400000040000000c00004008000000100400024400000000000801000040004043000000004000000008000021001002c0000002000800000000000000000000000000040000000000800400000000000000000000400000000100080000000000080000000000000000000000000400000080004000000000010050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������`�������(�������`�������`�������`�����������(������ ���������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:20:09Z</structure-indexed-at> </compound>