1.02010-04-08 22:15:05 UTC2019-11-26 03:19:04 UTCFDB020525Zwiebelane BConstituent of onion (Allium cepa). Zwiebelane B is found in garden onion and onion-family vegetables.Zwiebelane BC6H10OS2162.273162.0173063222,3-dimethyl-5λ⁴,6-dithiabicyclo[2.1.1]hexan-5-one2,3-dimethyl-5λ⁴,6-dithiabicyclo[2.1.1]hexan-5-one120709-22-0CC1C2SC(C1C)S2=OInChI=1S/C6H10OS2/c1-3-4(2)6-8-5(3)9(6)7/h3-6H,1-2H3MDLUYFYDCNUJHX-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.ThiolanesOrganic compoundsOrganoheterocyclic compoundsThiolanesAliphatic heteropolycyclic compoundsDialkylthioethersDithietanesHydrocarbon derivativesOrganic oxidesSulfinyl compoundsSulfoxidesAliphatic heteropolycyclic compoundDialkylthioetherDithietaneHydrocarbon derivativeOrganic oxideOrganic oxygen compoundSulfinyl compoundSulfoxideThioetherThiolanelogp-0.23logs-1.26solubility8.84e+00 g/llogp0.86pka_strongest_basic-7iupac2,3-dimethyl-5λ⁴,6-dithiabicyclo[2.1.1]hexan-5-oneaverage_mass162.273mono_mass162.017306322smilesCC1C2SC(C1C)S2=OformulaC6H10OS2inchiInChI=1S/C6H10OS2/c1-3-4(2)6-8-5(3)9(6)7/h3-6H,1-2H3inchikeyMDLUYFYDCNUJHX-UHFFFAOYSA-Npolar_surface_area17.07refractivity42.12polarizability16.96rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs14778Specdb::CMs168317Specdb::NmrOneD43062Specdb::NmrOneD43063Specdb::NmrOneD43064Specdb::NmrOneD43065Specdb::NmrOneD43066Specdb::NmrOneD43067Specdb::NmrOneD43068Specdb::NmrOneD43069Specdb::NmrOneD43070Specdb::NmrOneD43071Specdb::NmrOneD43072Specdb::NmrOneD43073Specdb::NmrOneD43074Specdb::NmrOneD43075Specdb::NmrOneD43076Specdb::NmrOneD43077Specdb::NmrOneD43078Specdb::NmrOneD43079Specdb::NmrOneD43080Specdb::NmrOneD43081Specdb::MsMs298654Specdb::MsMs298655Specdb::MsMs298656Specdb::MsMs340480Specdb::MsMs340481Specdb::MsMs340482Specdb::MsMs2273565Specdb::MsMs2273566Specdb::MsMs2273567Specdb::MsMs3069321Specdb::MsMs3069322Specdb::MsMs3069323Garden onionType 1specificAllium cepa4679Garden onion (var.)Type 1specificAllium cepa var. cepa4679Green onionType 1Onion-family vegetablesUnknowngenericRed onionType 1Welsh onionType 1specificAllium fistulosum35875