1.02010-04-08 22:05:52 UTC2019-11-26 02:59:24 UTCFDB003585Di-2-propenyl-sulfaneDi-2-propenyl sulfide, also known as allyl sulfide or 3-allylsulfanyl-propene, is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS. Di-2-propenyl sulfide is a garlic, horseradish, and metallic tasting compound and can be found in a number of food items such as onion-family vegetables, garden cress, horseradish, and brassicas, which makes di-2-propenyl sulfide a potential biomarker for the consumption of these food products. Di-2-propenyl sulfide can be found primarily in urine. C6H10S114.209114.050321013-(prop-2-en-1-ylsulfanyl)prop-1-eneoil garlic592-88-1C=CCSCC=CInChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2UBJVUCKUDDKUJF-UHFFFAOYSA-N belongs to the class of organic compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS.Allyl sulfur compoundsOrganic compoundsOrganosulfur compoundsAllyl sulfur compoundsAliphatic acyclic compoundsDialkylthioethersHydrocarbon derivativesSulfenyl compoundsAliphatic acyclic compoundAllyl sulfur compoundDialkylthioetherHydrocarbon derivativeSulfenyl compoundThioetherorganic sulfidelogp2.12logs-2.64solubility2.64e-01 g/llogp2.48iupac3-(prop-2-en-1-ylsulfanyl)prop-1-eneaverage_mass114.209mono_mass114.05032101smilesC=CCSCC=CformulaC6H10SinchiInChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2inchikeyUBJVUCKUDDKUJF-UHFFFAOYSA-Npolar_surface_area0refractivity37.32polarizability13.62rotatable_bond_count4acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::NmrOneD3916Specdb::NmrOneD4195Specdb::EiMs1810Specdb::CMs5560Specdb::CMs29418Specdb::CMs101824Specdb::CMs172805Specdb::MsIr7273Specdb::MsIr7274Specdb::MsMs55590Specdb::MsMs55591Specdb::MsMs55592Specdb::MsMs110778Specdb::MsMs110779Specdb::MsMs110780Specdb::MsMs2384954Specdb::MsMs2384955Specdb::MsMs2384956Specdb::MsMs2577282Specdb::MsMs2577283Specdb::MsMs2577284GarlicType 1specificAllium sativum4682Soft-necked garlicType 1specificAllium sativum L. var. sativum4682