34654 <common-name>Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine</common-name> <description>Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine is an organoheterocyclic compound with the formula C9H19NS2 and an average molecular weight of 205.38 g/mol. Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine belongs to the dithiazinanes, a subclass of azacyclic compounds within the organic compounds. In industrial applications, this substance is utilized as a nutrient and a flavouring agent.</description> <cas>101517-87-7</cas> <pubchem-id>529056</pubchem-id> <chemical-formula>C9H19NS2</chemical-formula> <weight>205.4</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">2016-05-26T04:15:11Z</created-at> <updated-at type="dateTime">2026-08-25T15:38:13Z</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(C)CC1SC(C)NC(C)S1</moldb-smiles> <moldb-formula>C9H19NS2</moldb-formula> <moldb-inchi>InChI=1S/C9H19NS2/c1-6(2)5-9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3</moldb-inchi> <moldb-inchikey>FVPPILNIVWRBNY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">205.384</moldb-average-mass> <moldb-mono-mass type="decimal">205.095890993</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM033549</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00121459</susdat-id> <iupac>4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane</iupac> <moldb-polar-surface-area>12.03</moldb-polar-surface-area> <moldb-refractivity>59.964999999999996</moldb-refractivity> <moldb-polarizability>24.10362654439711</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>5.871480370798539</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.66</moldb-alogps-logp> <moldb-alogps-logs>-3.01</moldb-alogps-logs> <moldb-alogps-solubility>2.01e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azacyclic compounds</klass> <subklass>Dithiazinanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0115964</sync-id> <structure-inchikey>FVPPILNIVWRBNY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000000000000000001000000000000100000000000000000000000000000000000000000000800000000000000000000000000000000000000010000000000000000000000000000000000000040000000001000000000000000000000000000000000000100000000040000010000000200000000000000800000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000020000200000000000000000000000000100000000001000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGAGAAAAADARAAIAAAAAIGAGAAAAADAQYAYAAA AAEDBwBgAAAAAgEGAGAAAAADAQYAYAAAAAEDEAAgAAAAAgsAAQABAgABAwAD BAAEBQAFBgAGBwAGCAAICQAJCgAJCwALBABCAQAAAAYECwkIBgUXBAAAAAAA AAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:45Z</structure-indexed-at> </compound>