1.0 2010-04-08 22:05:56 UTC 2025-11-18 22:53:47 UTC FDB003758 trans-Propyl 2-propenyl disulfide Cis-propyl 2-propenyl disulfide, also known as 4,5-dithia-1-octene or allyl propyl disulfide, 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. Cis-propyl 2-propenyl disulfide can be found in chives, which makes cis-propyl 2-propenyl disulfide a potential biomarker for the consumption of this food product. C6H12S2 148.289 148.038041764 3-(propyldisulfanyl)prop-1-ene allyl propyl disulfide CCCSSCC=C InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3 FCSSPCOFDUKHPV-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 Dialkyldisulfides Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Allyl sulfur compound Dialkyldisulfide Hydrocarbon derivative Organic disulfide Sulfenyl compound logp 3.05 ALOGPS logs -3.23 ALOGPS solubility 8.72e-02 g/l ALOGPS logp 2.91 ChemAxon iupac 3-(propyldisulfanyl)prop-1-ene ChemAxon average_mass 148.289 ChemAxon mono_mass 148.038041764 ChemAxon smiles CCCSSCC=C ChemAxon formula C6H12S2 ChemAxon inchi InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3 ChemAxon inchikey FCSSPCOFDUKHPV-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 45.53 ChemAxon polarizability 17.31 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6344 Specdb::MsIr 6345 Specdb::CMs 9477 Specdb::CMs 135351 Specdb::CMs 143085 Specdb::MsMs 84411 Specdb::MsMs 84412 Specdb::MsMs 84413 Specdb::MsMs 146253 Specdb::MsMs 146254 Specdb::MsMs 146255 Specdb::MsMs 3052994 Specdb::MsMs 3052995 Specdb::MsMs 3052996 Specdb::MsMs 3114356 Specdb::MsMs 3114357 Specdb::MsMs 3114358 HMDB0033912 Chives Type 1 specific Allium schoenoprasum 74900 Garden onion Type 1 specific Allium cepa 4679