1.0 2010-04-08 22:11:48 UTC 2018-05-29 01:18:29 UTC FDB015362 3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene Constituent of hops 3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene, 9CI C15H24S 236.416 236.159871458 (3Z,7Z)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene (3Z,7Z)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene 74841-84-2 C\C1=C\CC(C)(C)C2SC2C\C(C)=C/CC1 InChI=1S/C15H24S/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7- SVXFQANDXQPHJI-HONFXZPPSA-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 5.27 ALOGPS logs -4.36 ALOGPS solubility 1.03e-02 g/l ALOGPS logp 4.62 ChemAxon iupac (3Z,7Z)-3,7,10,10-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)C2SC2C\C(C)=C/CC1 ChemAxon formula C15H24S ChemAxon inchi InChI=1S/C15H24S/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7- ChemAxon inchikey SVXFQANDXQPHJI-HONFXZPPSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 76.03 ChemAxon polarizability 28.85 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25836 Specdb::CMs 131659 Specdb::CMs 139393 Specdb::MsMs 65346 Specdb::MsMs 65347 Specdb::MsMs 65348 Specdb::MsMs 122733 Specdb::MsMs 122734 Specdb::MsMs 122735 Specdb::MsMs 2382893 Specdb::MsMs 2382894 Specdb::MsMs 2382895 Specdb::MsMs 2582321 Specdb::MsMs 2582322 Specdb::MsMs 2582323 HMDB36469 #<Reference:0x000055ce31d280e8>