1.0 2010-04-08 22:14:42 UTC 2015-07-21 06:40:55 UTC FDB019967 xi-Tetrahydro-2-thiophenethiol Component of meat aroma model systems C4H8S2 120.236 120.006741636 thiolane-2-thiol thiolane-2-thiol SC1CCCS1 InChI=1S/C4H8S2/c5-4-2-1-3-6-4/h4-5H,1-3H2 MBURDTXKYKCZEZ-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 Alkylthiols Dialkylthioethers Hydrocarbon derivatives Aliphatic heteromonocyclic compound Alkylthiol Dialkylthioether Hydrocarbon derivative Organosulfur compound Thioether Thiolane logp 1.67 ALOGPS logs -2.13 ALOGPS solubility 8.88e-01 g/l ALOGPS logp 1.69 ChemAxon pka_strongest_acidic 9.56 ChemAxon iupac thiolane-2-thiol ChemAxon average_mass 120.236 ChemAxon mono_mass 120.006741636 ChemAxon smiles SC1CCCS1 ChemAxon formula C4H8S2 ChemAxon inchi InChI=1S/C4H8S2/c5-4-2-1-3-6-4/h4-5H,1-3H2 ChemAxon inchikey MBURDTXKYKCZEZ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 33.94 ChemAxon polarizability 12.93 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8841 Specdb::MsIr 8842 Specdb::MsIr 8843 Specdb::CMs 19881 Specdb::CMs 152565 Specdb::MsMs 310285 Specdb::MsMs 310286 Specdb::MsMs 310287 Specdb::MsMs 354940 Specdb::MsMs 354941 Specdb::MsMs 354942 Specdb::MsMs 2431576 Specdb::MsMs 2431577 Specdb::MsMs 2431578 Specdb::MsMs 2508088 Specdb::MsMs 2508089 Specdb::MsMs 2508090 HMDB40250 #<Reference:0x000055ce32205908>