1.0 2010-04-08 22:05:52 UTC 2025-11-18 22:53:09 UTC FDB003585 Di-2-propenyl-sulfane Di-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. C6H10S 114.209 114.05032101 3-(prop-2-en-1-ylsulfanyl)prop-1-ene oil garlic 592-88-1 C=CCSCC=C InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2 UBJVUCKUDDKUJF-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 compounds Organic compounds Organosulfur compounds Allyl sulfur compounds Aliphatic acyclic compounds Dialkylthioethers Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Allyl sulfur compound Dialkylthioether Hydrocarbon derivative Sulfenyl compound Thioether organic sulfide logp 2.12 ALOGPS logs -2.64 ALOGPS solubility 2.64e-01 g/l ALOGPS logp 2.48 ChemAxon iupac 3-(prop-2-en-1-ylsulfanyl)prop-1-ene ChemAxon average_mass 114.209 ChemAxon mono_mass 114.05032101 ChemAxon smiles C=CCSCC=C ChemAxon formula C6H10S ChemAxon inchi InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2 ChemAxon inchikey UBJVUCKUDDKUJF-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 37.32 ChemAxon polarizability 13.62 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1810 Specdb::MsIr 7273 Specdb::MsIr 7274 Specdb::NmrOneD 3916 Specdb::NmrOneD 4195 Specdb::CMs 5560 Specdb::CMs 29418 Specdb::CMs 101824 Specdb::CMs 172805 Specdb::MsMs 55590 Specdb::MsMs 55591 Specdb::MsMs 55592 Specdb::MsMs 110778 Specdb::MsMs 110779 Specdb::MsMs 110780 Specdb::MsMs 2384954 Specdb::MsMs 2384955 Specdb::MsMs 2384956 Specdb::MsMs 2577282 Specdb::MsMs 2577283 Specdb::MsMs 2577284 HMDB0036491 Garlic Type 1 specific Allium sativum 4682 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682