340404 <common-name>3-[bis[2-(benzylcarbamothioylamino)ethyl]carbamothioylsulfanyl]propane-1-sulfonic acid</common-name> <description>3-[bis[2-(benzylcarbamothioylamino)ethyl]carbamothioylsulfanyl]propane-1-sulfonic acid is a compound with the chemical formula C24H33N5O3S5. With an average molecular weight of 599.90 g/mol, 3-[bis[2-(benzylcarbamothioylamino)ethyl]carbamothioylsulfanyl]propane-1-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3036922</pubchem-id> <chemical-formula>C24H33N5O3S5</chemical-formula> <weight>599.9</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">2026-08-31T00:00:51Z</created-at> <updated-at type="dateTime">2026-08-31T00:00:51Z</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>C1=CC=C(C=C1)CNC(=S)NCCN(CCNC(=S)NCC2=CC=CC=C2)C(=S)SCCCS(=O)(=O)O</moldb-smiles> <moldb-formula>C24H33N5O3S5</moldb-formula> <moldb-inchi>InChI=1S/C24H33N5O3S5/c30-37(31,32)17-7-16-36-24(35)29(14-12-25-22(33)27-18-20-8-3-1-4-9-20)15-13-26-23(34)28-19-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H2,25,27,33)(H2,26,28,34)(H,30,31,32)</moldb-inchi> <moldb-inchikey>MEKQYCXNAHUPCW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">599.1186958</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM336297</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>3-[bis[2-(benzylcarbamothioylamino)ethyl]carbamothioylsulfanyl]propane-1-sulfonic acid</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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0290818</sync-id> <structure-inchikey>MEKQYCXNAHUPCW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80004002080010000000000000000400000000000001000000800000000000000002c000000004000000000000000000000040000000000000000000000000008020000000020020001000000000000000000000000000000000010000000000000000004000000000000000000002002000000001000000000000200000804000000000000080008002000100000000040040000004000000000000000000000000080000040000000800000000080000000000000000000000040000000000000000000000008000000000000000000220200000000000000000000000000040000000010000000001000000000000000000000000</structure-fingerprint> 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