1.0 2010-04-08 22:05:53 UTC 2019-11-26 02:59:26 UTC FDB003634 Hexa-1,5-dienyl trisulfide Hexa-1,5-dienyl trisulfide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Hexa-1,5-dienyl trisulfide can be found in soft-necked garlic, which makes hexa-1,5-dienyl trisulfide a potential biomarker for the consumption of this food product. C6H10S3 178.339 177.99446239 [(1E)-hexa-1,5-dien-1-ylsulfanyl]dithioperoxol (1E)-hexa-1,5-dien-1-ylsulfanyldithioperoxol SSS\C=C\CCC=C InChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+ UHZPAMDDFODOJH-AATRIKPKSA-N belongs to the class of organic compounds known as sulfenyl compounds. These are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl). Sulfenyl compounds Organic compounds Organosulfur compounds Sulfenyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Sulfenyl compound logp 2.59 ALOGPS logs -3.27 ALOGPS solubility 9.49e-02 g/l ALOGPS logp 3.56 ChemAxon pka_strongest_acidic 9.18 ChemAxon iupac [(1E)-hexa-1,5-dien-1-ylsulfanyl]dithioperoxol ChemAxon average_mass 178.339 ChemAxon mono_mass 177.99446239 ChemAxon smiles SSS\C=C\CCC=C ChemAxon formula C6H10S3 ChemAxon inchi InChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+ ChemAxon inchikey UHZPAMDDFODOJH-AATRIKPKSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 49.11 ChemAxon polarizability 18.8 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 95352 Specdb::MsMs 95353 Specdb::MsMs 95354 Specdb::MsMs 159609 Specdb::MsMs 159610 Specdb::MsMs 159611 Specdb::MsMs 3599291 Specdb::MsMs 3599292 Specdb::MsMs 3599293 Specdb::MsMs 3599294 Specdb::MsMs 3599295 Specdb::MsMs 3599296 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682