1.02010-04-08 22:09:49 UTC2015-07-20 22:43:14 UTCFDB0117731,4-Dithiane-2,5-diolFood flavour component with meaty/toasted/sulfurous odour2,5-Dihydroxy-1,4-dithiane2,5-Dimethyl-1,4-dithianeDithianFEMA 3826Mercaptoacetaldehyde dimerp-Dithiane-2,5-diolC4H8O2S2152.235151.996570881,4-dithiane-2,5-diol1,4-dithiane-2,5-diol40018-26-6OC1CSC(O)CS1InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2YUIOPHXTILULQC-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.DithianesOrganic compoundsOrganoheterocyclic compoundsDithianesAliphatic heteromonocyclic compoundsHydrocarbon derivativesOrganooxygen compounds1,4-dithianeAliphatic heteromonocyclic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundlogp-0.74logs-0.28solubility7.91e+01 g/llogp-0.38pka_strongest_acidic13.38pka_strongest_basic-3.4iupac1,4-dithiane-2,5-diolaverage_mass152.235mono_mass151.99657088smilesOC1CSC(O)CS1formulaC4H8O2S2inchiInChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2inchikeyYUIOPHXTILULQC-UHFFFAOYSA-Npolar_surface_area40.46refractivity37.01polarizability14.52rotatable_bond_count0acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs9282Specdb::CMs43428Specdb::CMs149823Specdb::MsMs51117Specdb::MsMs51118Specdb::MsMs51119Specdb::MsMs166605Specdb::MsMs166606Specdb::MsMs166607Specdb::MsMs2350111Specdb::MsMs2350112Specdb::MsMs2350113Specdb::MsMs2589517Specdb::MsMs2589518Specdb::MsMs2589519Specdb::NmrOneD121418Specdb::NmrOneD121419Specdb::NmrOneD121420Specdb::NmrOneD121421Specdb::NmrOneD121422Specdb::NmrOneD121423Specdb::NmrOneD121424Specdb::NmrOneD121425Specdb::NmrOneD121426Specdb::NmrOneD121427Specdb::NmrOneD121428Specdb::NmrOneD121429Specdb::NmrOneD121430Specdb::NmrOneD121431Specdb::NmrOneD121432Specdb::NmrOneD121433Specdb::NmrOneD121434Specdb::NmrOneD121435Specdb::NmrOneD121436Specdb::NmrOneD121437HMDB33670#<Reference:0x0000555674355870>breadbrotheggmeatysulfuroussulfurytoastedtomato