1.0 2010-04-08 22:11:48 UTC 2018-05-29 01:18:29 UTC FDB015361 1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene Constituent of hops 1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene, 9CI C15H24S 236.416 236.159871458 (3Z,7Z)-1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene (3Z,7Z)-1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene 65563-96-4 C\C1=C\CC(C)(C)\C=C/CC2(C)SC2CC1 InChI=1S/C15H24S/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8- RNAZTWUZAUOIKC-QZFXXANLSA-N belongs to the class of organic compounds known as thiiranes. These are heterocyclic compounds containing a saturated three-member ring with two carbon atoms and one sulfur atom. Thiiranes Organic compounds Organoheterocyclic compounds Thiiranes Aliphatic heteropolycyclic compounds Dialkylthioethers Hydrocarbon derivatives Aliphatic heteropolycyclic compound Dialkylthioether Hydrocarbon derivative Thiirane Thioether logp 5.78 ALOGPS logs -5.09 ALOGPS solubility 1.90e-03 g/l ALOGPS logp 4.48 ChemAxon iupac (3Z,7Z)-1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene ChemAxon average_mass 236.416 ChemAxon mono_mass 236.159871458 ChemAxon smiles C\C1=C\CC(C)(C)\C=C/CC2(C)SC2CC1 ChemAxon formula C15H24S ChemAxon inchi InChI=1S/C15H24S/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8- ChemAxon inchikey RNAZTWUZAUOIKC-QZFXXANLSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 76.51 ChemAxon polarizability 28.5 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18858 Specdb::CMs 167979 Specdb::MsMs 83925 Specdb::MsMs 83926 Specdb::MsMs 83927 Specdb::MsMs 145641 Specdb::MsMs 145642 Specdb::MsMs 145643 Specdb::MsMs 3047373 Specdb::MsMs 3047374 Specdb::MsMs 3047375 Specdb::MsMs 3096958 Specdb::MsMs 3096959 Specdb::MsMs 3096960 HMDB36468 #<Reference:0x000055ce3291ed48>