1.0 2010-04-08 22:14:21 UTC 2015-07-21 06:35:57 UTC FDB019447 Dihydro-4-mercapto-5-methyl-3(2H)-thiophenone Component of meat aroma models. Possesses a roasted meat aroma 3-Mercapto-4-hydroxy-2-methyl-2,3-dihydrothiophene 4,5-Dihydro-4-mercapto-5-methylthiophene-3-ol, 9CI C5H8OS2 148.246 148.001656258 5-methyl-4-sulfanyl-4,5-dihydrothiophen-3-ol 5-methyl-4-sulfanyl-4,5-dihydrothiophen-3-ol 65936-90-5 CC1SC=C(O)C1S InChI=1S/C5H8OS2/c1-3-5(7)4(6)2-8-3/h2-3,5-7H,1H3 BEYGIIYBQRJTSW-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydrothiophenes. Dihydrothiophenes are compounds containing a dihydrothiophene moiety, which is a thiophene derivative with only one double bond. Dihydrothiophenes Organic compounds Organoheterocyclic compounds Dihydrothiophenes Aliphatic heteromonocyclic compounds Alkylthiols Hydrocarbon derivatives Organooxygen compounds Thioenol ethers 2,3-dihydrothiophene Aliphatic heteromonocyclic compound Alkylthiol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Organosulfur compound Thioenolether logp 1.01 ALOGPS logs -1.69 ALOGPS solubility 3.03e+00 g/l ALOGPS logp 0.75 ChemAxon pka_strongest_acidic 8.32 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 5-methyl-4-sulfanyl-4,5-dihydrothiophen-3-ol ChemAxon average_mass 148.246 ChemAxon mono_mass 148.001656258 ChemAxon smiles CC1SC=C(O)C1S ChemAxon formula C5H8OS2 ChemAxon inchi InChI=1S/C5H8OS2/c1-3-5(7)4(6)2-8-3/h2-3,5-7H,1H3 ChemAxon inchikey BEYGIIYBQRJTSW-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 40.67 ChemAxon polarizability 14.8 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 75597 Specdb::MsMs 75598 Specdb::MsMs 75599 Specdb::MsMs 135267 Specdb::MsMs 135268 Specdb::MsMs 135269 Specdb::MsMs 2788864 Specdb::MsMs 2788865 Specdb::MsMs 2788866 Specdb::MsMs 2920405 Specdb::MsMs 2920406 Specdb::MsMs 2920407 Specdb::CMs 26410 Specdb::CMs 46574 Specdb::CMs 137964 Specdb::CMs 145698 Specdb::NmrOneD 35982 Specdb::NmrOneD 35983 Specdb::NmrOneD 35984 Specdb::NmrOneD 35985 Specdb::NmrOneD 35986 Specdb::NmrOneD 35987 Specdb::NmrOneD 35988 Specdb::NmrOneD 35989 Specdb::NmrOneD 35990 Specdb::NmrOneD 35991 Specdb::NmrOneD 35992 Specdb::NmrOneD 35993 Specdb::NmrOneD 35994 Specdb::NmrOneD 35995 Specdb::NmrOneD 35996 Specdb::NmrOneD 35997 Specdb::NmrOneD 35998 Specdb::NmrOneD 35999 Specdb::NmrOneD 36000 Specdb::NmrOneD 36001 HMDB39797 #<Reference:0x000055ce321dd570>