1.0 2010-04-08 22:05:54 UTC 2025-11-18 22:53:29 UTC FDB003667 Propyl allyl trisulfide Propyl 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). Propyl allyl trisulfide can be found in soft-necked garlic, which makes propyl allyl trisulfide a potential biomarker for the consumption of this food product. C6H12S3 180.354 180.010112454 1-(prop-2-en-1-yl)-3-propyltrisulfane 1-(prop-2-en-1-yl)-3-propyltrisulfane CCCSSSCC=C InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3H,1,4-6H2,2H3 IXJMGVJLUBBAQW-UHFFFAOYSA-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 3.02 ALOGPS logs -3.36 ALOGPS solubility 7.93e-02 g/l ALOGPS logp 3.5 ChemAxon iupac 1-(prop-2-en-1-yl)-3-propyltrisulfane ChemAxon average_mass 180.354 ChemAxon mono_mass 180.010112454 ChemAxon smiles CCCSSSCC=C ChemAxon formula C6H12S3 ChemAxon inchi InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3H,1,4-6H2,2H3 ChemAxon inchikey IXJMGVJLUBBAQW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 51.28 ChemAxon polarizability 19.69 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62535 Specdb::MsMs 62536 Specdb::MsMs 62537 Specdb::MsMs 119283 Specdb::MsMs 119284 Specdb::MsMs 119285 Specdb::MsMs 3599342 Specdb::MsMs 3599343 Specdb::MsMs 3599344 Specdb::MsMs 3599345 Specdb::MsMs 3599346 Specdb::MsMs 3599347 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682