1.0 2010-04-08 22:05:51 UTC 2025-11-18 22:53:05 UTC FDB003561 Allyl-1-propenyl trisulfide Trans-1-propenyl allyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl). Trans-1-propenyl allyl trisulfide can be found in soft-necked garlic, which makes trans-1-propenyl allyl trisulfide a potential biomarker for the consumption of this food product. Trisulfide, 1-propenyl, 2-propenyl C6H10S3 178.339 177.99446239 1-[(1E)-prop-1-en-1-yl]-3-(prop-2-en-1-yl)trisulfane 1-[(1E)-prop-1-en-1-yl]-3-(prop-2-en-1-yl)trisulfane C\C=C\SSSCC=C InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ ABXMBMQLMGNKES-GQCTYLIASA-N belongs to the class of organic compounds known as organic trisulfides. These are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl). Organic trisulfides Organic compounds Organosulfur compounds Organic trisulfides Aliphatic acyclic compounds Allyl sulfur compounds Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Allyl sulfur compound Hydrocarbon derivative Organic trisulfide Sulfenyl compound logp 3.09 ALOGPS logs -3.39 ALOGPS solubility 7.33e-02 g/l ALOGPS logp 3.39 ChemAxon iupac 1-[(1E)-prop-1-en-1-yl]-3-(prop-2-en-1-yl)trisulfane ChemAxon average_mass 178.339 ChemAxon mono_mass 177.99446239 ChemAxon smiles C\C=C\SSSCC=C ChemAxon formula C6H10S3 ChemAxon inchi InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ ChemAxon inchikey ABXMBMQLMGNKES-GQCTYLIASA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 51.41 ChemAxon polarizability 18.6 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 93306 Specdb::MsMs 93307 Specdb::MsMs 93308 Specdb::MsMs 157050 Specdb::MsMs 157051 Specdb::MsMs 157052 Specdb::MsMs 3599243 Specdb::MsMs 3599244 Specdb::MsMs 3599245 Specdb::MsMs 3599246 Specdb::MsMs 3599247 Specdb::MsMs 3599248 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682