1.0 2010-04-08 22:07:48 UTC 2025-11-18 23:05:44 UTC FDB007856 Allylpropyl sulfide Allylpropyl sulfide 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. Allylpropyl sulfide is a garlic, green, and onion tasting compound found in garden onion, which makes allylpropyl sulfide a potential biomarker for the consumption of this food product. 3-(Propylthio)propene 4-thia-1-heptene Allyl propyl sulfide Allyl-n-propyl sulfide Propyl allyl sulfide C6H12S 116.224 116.065971074 3-(propylsulfanyl)prop-1-ene 3-(propylsulfanyl)prop-1-ene 27817-67-0 CCCSCC=C InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3 JMLIYQJQKZYHDQ-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 logp 2.74 ALOGPS logs -3.02 ALOGPS solubility 1.12e-01 g/l ALOGPS logp 2.63 ChemAxon iupac 3-(propylsulfanyl)prop-1-ene ChemAxon average_mass 116.224 ChemAxon mono_mass 116.065971074 ChemAxon smiles CCCSCC=C ChemAxon formula C6H12S ChemAxon inchi InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3 ChemAxon inchikey JMLIYQJQKZYHDQ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 37.43 ChemAxon polarizability 14.72 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74307 Specdb::MsMs 74308 Specdb::MsMs 74309 Specdb::MsMs 133662 Specdb::MsMs 133663 Specdb::MsMs 133664 Specdb::MsMs 3604475 Specdb::MsMs 3604476 Specdb::MsMs 3604477 Specdb::MsMs 3604478 Specdb::MsMs 3604479 Specdb::MsMs 3604480 Garden onion Type 1 specific Allium cepa 4679 garlic green onion