1.0 2010-04-08 22:09:49 UTC 2015-07-20 22:43:14 UTC FDB011773 1,4-Dithiane-2,5-diol Food flavour component with meaty/toasted/sulfurous odour 2,5-Dihydroxy-1,4-dithiane 2,5-Dimethyl-1,4-dithiane Dithian FEMA 3826 Mercaptoacetaldehyde dimer p-Dithiane-2,5-diol C4H8O2S2 152.235 151.99657088 1,4-dithiane-2,5-diol 1,4-dithiane-2,5-diol 40018-26-6 OC1CSC(O)CS1 InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2 YUIOPHXTILULQC-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 -0.74 ALOGPS logs -0.28 ALOGPS solubility 7.91e+01 g/l ALOGPS logp -0.38 ChemAxon pka_strongest_acidic 13.38 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 1,4-dithiane-2,5-diol ChemAxon average_mass 152.235 ChemAxon mono_mass 151.99657088 ChemAxon smiles OC1CSC(O)CS1 ChemAxon formula C4H8O2S2 ChemAxon inchi InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2 ChemAxon inchikey YUIOPHXTILULQC-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 37.01 ChemAxon polarizability 14.52 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51117 Specdb::MsMs 51118 Specdb::MsMs 51119 Specdb::MsMs 166605 Specdb::MsMs 166606 Specdb::MsMs 166607 Specdb::MsMs 2350111 Specdb::MsMs 2350112 Specdb::MsMs 2350113 Specdb::MsMs 2589517 Specdb::MsMs 2589518 Specdb::MsMs 2589519 Specdb::CMs 9282 Specdb::CMs 43428 Specdb::CMs 149823 Specdb::NmrOneD 121418 Specdb::NmrOneD 121419 Specdb::NmrOneD 121420 Specdb::NmrOneD 121421 Specdb::NmrOneD 121422 Specdb::NmrOneD 121423 Specdb::NmrOneD 121424 Specdb::NmrOneD 121425 Specdb::NmrOneD 121426 Specdb::NmrOneD 121427 Specdb::NmrOneD 121428 Specdb::NmrOneD 121429 Specdb::NmrOneD 121430 Specdb::NmrOneD 121431 Specdb::NmrOneD 121432 Specdb::NmrOneD 121433 Specdb::NmrOneD 121434 Specdb::NmrOneD 121435 Specdb::NmrOneD 121436 Specdb::NmrOneD 121437 HMDB33670 #<Reference:0x000055ce30bf5c30> bread broth egg meaty sulfurous sulfury toasted tomato