1.0 2010-04-08 22:10:43 UTC 2015-07-20 22:59:19 UTC FDB013457 5-Acetyl-2,3-dihydro-1,4-thiazine Formed by thermal treatment of cysteine and ribose mixtures. 1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone, 9CI 5-acetyl-3,4-dihydro-2H-1,4-thiazine C6H9NOS 143.207 143.040484605 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)ethan-1-one 1-(5,6-dihydro-4H-1,4-thiazin-3-yl)ethanone 164524-93-0 CC(=O)C1=CSCCN1 InChI=1S/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h4,7H,2-3H2,1H3 YJSKAAVPUSXIPL-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,4-thiazines. These are organic compounds containing 1,4-thiazine, a six-member ring with a nitrogen and a sulfur atoms in ring positions 1 and 4 respectively, as well as two double bonds. 1,4-thiazines Organic compounds Organoheterocyclic compounds Thiazines 1,4-thiazines Aliphatic heteromonocyclic compounds Alpha-amino ketones Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Thioenol ethers Vinylogous thioesters Aliphatic heteromonocyclic compound Alpha-aminoketone Amine Azacycle Carbonyl group Enamine Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Para-thiazine Secondary aliphatic amine Secondary amine Thioenolether Vinylogous thioester logp 0.36 ALOGPS logs -1.10 ALOGPS solubility 1.15e+01 g/l ALOGPS melting_point Mp 171-172° (as hydrochloride) logp -0.058 ChemAxon pka_strongest_basic 3.02 ChemAxon iupac 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)ethan-1-one ChemAxon average_mass 143.207 ChemAxon mono_mass 143.040484605 ChemAxon smiles CC(=O)C1=CSCCN1 ChemAxon formula C6H9NOS ChemAxon inchi InChI=1S/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h4,7H,2-3H2,1H3 ChemAxon inchikey YJSKAAVPUSXIPL-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 40.33 ChemAxon polarizability 14.72 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19979 Specdb::CMs 150626 Specdb::MsMs 48450 Specdb::MsMs 48451 Specdb::MsMs 48452 Specdb::MsMs 121707 Specdb::MsMs 121708 Specdb::MsMs 121709 Specdb::MsMs 3054278 Specdb::MsMs 3054279 Specdb::MsMs 3054280 Specdb::MsMs 3115572 Specdb::MsMs 3115573 Specdb::MsMs 3115574 Specdb::MsIr 6713 Specdb::MsIr 6714 Specdb::MsIr 6715 Specdb::NmrOneD 128108 Specdb::NmrOneD 128109 Specdb::NmrOneD 128110 Specdb::NmrOneD 128111 Specdb::NmrOneD 128112 Specdb::NmrOneD 128113 Specdb::NmrOneD 128114 Specdb::NmrOneD 128115 Specdb::NmrOneD 128116 Specdb::NmrOneD 128117 Specdb::NmrOneD 128118 Specdb::NmrOneD 128119 Specdb::NmrOneD 128120 Specdb::NmrOneD 128121 Specdb::NmrOneD 128122 Specdb::NmrOneD 128123 Specdb::NmrOneD 128124 Specdb::NmrOneD 128125 Specdb::NmrOneD 128126 Specdb::NmrOneD 128127 HMDB34882 #<Reference:0x000055ce32061070> cooked nutty roasted