1.0 2010-04-08 22:11:15 UTC 2019-11-26 03:10:01 UTC FDB014422 3H-1,2-Dithiole-3-thione Isolated from Brassica oleracea variety capitata and other crucifers. Potential nutriceutical. 3H-1,2-Dithiole-3-thione is found in brassicas. 1,2-Dithia-4-cyclopentene-3-thione 1,2-dithiol-3-thione 1,2-dithiole-3-thione 1,2-dithiolene-3-thione 3-H-1,2-dithiole-2-thione (D3T) C3H2S3 134.243 133.931862134 3H-1,2-dithiole-3-thione 1,2-dithiole-3-thione 534-25-8 S=C1SSC=C1 InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2H LZENMJMJWQSSNJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,2-dithiole-3-thiones. These are organic heterocyclic compounds containing a 1,2-dithiole ring that bears a C=S group. 1,2-dithiole-3-thiones Organic compounds Organoheterocyclic compounds Dithioles 1,2-dithioles Aromatic heteromonocyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organosulfur compounds 1,2-dithiole-3-thione Aromatic heteromonocyclic compound Heteroaromatic compound Hydrocarbon derivative Organosulfur compound 1,2-dithiole logp 1.69 ALOGPS logs -2.60 ALOGPS solubility 3.37e-01 g/l ALOGPS melting_point Mp 81-82° logp 2.07 ChemAxon iupac 3H-1,2-dithiole-3-thione ChemAxon average_mass 134.243 ChemAxon mono_mass 133.931862134 ChemAxon smiles S=C1SSC=C1 ChemAxon formula C3H2S3 ChemAxon inchi InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2H ChemAxon inchikey LZENMJMJWQSSNJ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 38.1 ChemAxon polarizability 12.37 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26076 Specdb::CMs 132564 Specdb::CMs 140298 Specdb::MsIr 6959 Specdb::MsIr 6960 Specdb::MsMs 69342 Specdb::MsMs 69343 Specdb::MsMs 69344 Specdb::MsMs 127605 Specdb::MsMs 127606 Specdb::MsMs 127607 Specdb::MsMs 2386259 Specdb::MsMs 2386260 Specdb::MsMs 2386261 Specdb::MsMs 2578899 Specdb::MsMs 2578900 Specdb::MsMs 2578901 HMDB35702 50866 #<Reference:0x000055ce2efae3b0> Brassicas Unknown generic 3705