1.0 2010-04-08 22:15:05 UTC 2025-11-19 02:32:22 UTC FDB020525 Zwiebelane B Constituent of onion (Allium cepa). Zwiebelane B is found in garden onion and onion-family vegetables. Zwiebelane B C6H10OS2 162.273 162.017306322 2,3-dimethyl-5λ⁴,6-dithiabicyclo[2.1.1]hexan-5-one 2,3-dimethyl-5λ⁴,6-dithiabicyclo[2.1.1]hexan-5-one 120709-22-0 CC1C2SC(C1C)S2=O InChI=1S/C6H10OS2/c1-3-4(2)6-8-5(3)9(6)7/h3-6H,1-2H3 MDLUYFYDCNUJHX-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 heteropolycyclic compounds Dialkylthioethers Dithietanes Hydrocarbon derivatives Organic oxides Sulfinyl compounds Sulfoxides Aliphatic heteropolycyclic compound Dialkylthioether Dithietane Hydrocarbon derivative Organic oxide Organic oxygen compound Sulfinyl compound Sulfoxide Thioether Thiolane logp -0.23 ALOGPS logs -1.26 ALOGPS solubility 8.84e+00 g/l ALOGPS logp 0.86 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2,3-dimethyl-5λ⁴,6-dithiabicyclo[2.1.1]hexan-5-one ChemAxon average_mass 162.273 ChemAxon mono_mass 162.017306322 ChemAxon smiles CC1C2SC(C1C)S2=O ChemAxon formula C6H10OS2 ChemAxon inchi InChI=1S/C6H10OS2/c1-3-4(2)6-8-5(3)9(6)7/h3-6H,1-2H3 ChemAxon inchikey MDLUYFYDCNUJHX-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 42.12 ChemAxon polarizability 16.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 298654 Specdb::MsMs 298655 Specdb::MsMs 298656 Specdb::MsMs 340480 Specdb::MsMs 340481 Specdb::MsMs 340482 Specdb::MsMs 2273565 Specdb::MsMs 2273566 Specdb::MsMs 2273567 Specdb::MsMs 3069321 Specdb::MsMs 3069322 Specdb::MsMs 3069323 Specdb::CMs 14778 Specdb::CMs 168317 Specdb::NmrOneD 43062 Specdb::NmrOneD 43063 Specdb::NmrOneD 43064 Specdb::NmrOneD 43065 Specdb::NmrOneD 43066 Specdb::NmrOneD 43067 Specdb::NmrOneD 43068 Specdb::NmrOneD 43069 Specdb::NmrOneD 43070 Specdb::NmrOneD 43071 Specdb::NmrOneD 43072 Specdb::NmrOneD 43073 Specdb::NmrOneD 43074 Specdb::NmrOneD 43075 Specdb::NmrOneD 43076 Specdb::NmrOneD 43077 Specdb::NmrOneD 43078 Specdb::NmrOneD 43079 Specdb::NmrOneD 43080 Specdb::NmrOneD 43081 HMDB0040718 Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875