6466 <common-name>DIHYDRO-2,4,6-TRIMETHYL-4H-1,3,5-DITHIAZINE</common-name> <description>DIHYDRO-2,4,6-TRIMETHYL-4H-1,3,5-DITHIAZINE belongs to the dithiazinanes, a subclass of azacyclic compounds within the organic compounds. This organoheterocyclic compound has the chemical formula C6H13NS2 and an average molecular weight of 163.30 g/mol. It is used industrially as a nutrient and a flavouring agent. This substance is recorded as being released from household cleaning and consumer products, specifically within perfumes used in soaps and detergents.</description> <cas>86241-90-9</cas> <pubchem-id>12518</pubchem-id> <chemical-formula>C6H13NS2</chemical-formula> <weight>163.3</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">2016-05-19T02:01:09Z</created-at> <updated-at type="dateTime">2026-08-23T07:10:33Z</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>CC1NC(C)SC(C)S1</moldb-smiles> <moldb-formula>C6H13NS2</moldb-formula> <moldb-inchi>InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3</moldb-inchi> <moldb-inchikey>FBMVFHKKLDGLJA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">163.304</moldb-average-mass> <moldb-mono-mass type="decimal">163.048940801</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM005361</chemdb-id> <dsstox-id>DTXSID001009930</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00042070</susdat-id> <iupac>2,4,6-trimethyl-1,3,5-dithiazinane</iupac> <moldb-polar-surface-area>12.03</moldb-polar-surface-area> <moldb-refractivity>46.346599999999995</moldb-refractivity> <moldb-polarizability>18.2182182372989</moldb-polarizability> <moldb-rotatable-bond-count>0</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>5.873199144015221</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.30</moldb-alogps-logp> <moldb-alogps-logs>-1.72</moldb-alogps-logs> <moldb-alogps-solubility>3.12e+00 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>CED0037187</sync-id> <structure-inchikey>FBMVFHKKLDGLJA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000001000100000000000000000000000000000000100000000040000010000000200000000000000800000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000200000000000000000000000000000000000001000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACQAAAIABBgBgAAAAAQMGAGAAAAAD AQcAYAAAAAIBBgBgAAAAAwEGAGAAAAABAxAAIAAAAAIGAGAAAAADAQYAYAAA AAEDEAAgAAAAAgsAAQABAgACAwADBAADBQAFBgAGBwAGCAAIAQBCAQAAAAYB CAYFAwIXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:21Z</structure-indexed-at> </compound>