1.0 2010-04-08 22:10:58 UTC 2019-11-26 03:09:16 UTC FDB013904 Tetrahydro-2-methylthiophen-3-ol Found in wine. Compd. responsible for "off" taste in some wines Tetrahydro-3-hydroxy-2-methylthiophene C5H10OS 118.197 118.045235632 2-methylthiolan-3-ol 2-methylthiolan-3-ol CC1SCCC1O InChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3 HAUQWGSXLBQNPN-UHFFFAOYSA-N belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. Thiolanes Organic compounds Organoheterocyclic compounds Thiolanes Aliphatic heteromonocyclic compounds Dialkylthioethers Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Thioether Thiolane logp 0.50 ALOGPS logs -0.66 ALOGPS solubility 2.59e+01 g/l ALOGPS logp 0.51 ChemAxon pka_strongest_acidic 14.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-methylthiolan-3-ol ChemAxon average_mass 118.197 ChemAxon mono_mass 118.045235632 ChemAxon smiles CC1SCCC1O ChemAxon formula C5H10OS ChemAxon inchi InChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3 ChemAxon inchikey HAUQWGSXLBQNPN-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 32.39 ChemAxon polarizability 12.76 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13310 Specdb::CMs 44275 Specdb::CMs 168623 Specdb::NmrOneD 130698 Specdb::NmrOneD 130699 Specdb::NmrOneD 130700 Specdb::NmrOneD 130701 Specdb::NmrOneD 130702 Specdb::NmrOneD 130703 Specdb::NmrOneD 130704 Specdb::NmrOneD 130705 Specdb::NmrOneD 130706 Specdb::NmrOneD 130707 Specdb::NmrOneD 130708 Specdb::NmrOneD 130709 Specdb::NmrOneD 130710 Specdb::NmrOneD 130711 Specdb::NmrOneD 130712 Specdb::NmrOneD 130713 Specdb::NmrOneD 130714 Specdb::NmrOneD 130715 Specdb::NmrOneD 130716 Specdb::NmrOneD 130717 Specdb::MsMs 109161 Specdb::MsMs 109162 Specdb::MsMs 109163 Specdb::MsMs 176556 Specdb::MsMs 176557 Specdb::MsMs 176558 Specdb::MsMs 2703824 Specdb::MsMs 2703825 Specdb::MsMs 2703826 Specdb::MsMs 3001639 Specdb::MsMs 3001640 Specdb::MsMs 3001641 HMDB35244 #<Reference:0x000055ce316dfa38> Alcoholic beverages Unknown generic