1.0 2010-04-08 22:09:44 UTC 2025-11-18 23:29:40 UTC FDB011622 2,5-Dimethyl-1,4-dithiane-2,5-diol Flavouring ingredient 1,4-Dithiane-2,5-diol, 2,5-dimethyl- 2-Mercaptopropanone 2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane 2,5-Dimethyl-2, 5-dihydroxy-1,4-dithiane 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane 2,5-Dimethyl-2,5-dihydroxy-p-dithiane 2,5-Dimethyl-p-dithiane-2,5-diol FEMA 3450 C6H12O2S2 180.288 180.027871008 2,5-dimethyl-1,4-dithiane-2,5-diol 2,5-dimethyl-1,4-dithiane-2,5-diol 55704-78-4 CC1(O)CSC(C)(O)CS1 InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3 NHKIYYMFGJBOTK-UHFFFAOYSA-N belongs to the class of organic compounds known as dithianes. Dithianes are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. Dithianes Organic compounds Organoheterocyclic compounds Dithianes Aliphatic heteromonocyclic compounds Hydrocarbon derivatives Organooxygen compounds 1,4-dithiane Aliphatic heteromonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound logp 0.02 ALOGPS logs -0.99 ALOGPS solubility 1.85e+01 g/l ALOGPS logp 0.27 ChemAxon pka_strongest_acidic 13.21 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2,5-dimethyl-1,4-dithiane-2,5-diol ChemAxon average_mass 180.288 ChemAxon mono_mass 180.027871008 ChemAxon smiles CC1(O)CSC(C)(O)CS1 ChemAxon formula C6H12O2S2 ChemAxon inchi InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3 ChemAxon inchikey NHKIYYMFGJBOTK-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 46.87 ChemAxon polarizability 18.03 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20265 Specdb::CMs 43358 Specdb::CMs 146565 Specdb::NmrOneD 120598 Specdb::NmrOneD 120599 Specdb::NmrOneD 120600 Specdb::NmrOneD 120601 Specdb::NmrOneD 120602 Specdb::NmrOneD 120603 Specdb::NmrOneD 120604 Specdb::NmrOneD 120605 Specdb::NmrOneD 120606 Specdb::NmrOneD 120607 Specdb::NmrOneD 120608 Specdb::NmrOneD 120609 Specdb::NmrOneD 120610 Specdb::NmrOneD 120611 Specdb::NmrOneD 120612 Specdb::NmrOneD 120613 Specdb::NmrOneD 120614 Specdb::NmrOneD 120615 Specdb::NmrOneD 120616 Specdb::NmrOneD 120617 Specdb::MsMs 92931 Specdb::MsMs 92932 Specdb::MsMs 92933 Specdb::MsMs 156627 Specdb::MsMs 156628 Specdb::MsMs 156629 Specdb::MsMs 2803231 Specdb::MsMs 2803232 Specdb::MsMs 2803233 Specdb::MsMs 2879564 Specdb::MsMs 2879565 Specdb::MsMs 2879566 HMDB33556 #<Reference:0x000055ce32fd5100> bouillon chicken lamb onion pork savory