1.0 2010-04-08 22:05:52 UTC 2025-11-18 22:53:08 UTC FDB003580 cis-Ajoene Ajoene is a member of the class of compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H). Ajoene is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Ajoene can be found in garlic, onion-family vegetables, and soft-necked garlic, which makes ajoene a potential biomarker for the consumption of these food products. The name (and pronunciation) is derived from "ajo", the Spanish word for garlic. It is found as a mixture of up to four isomers, which differ in terms of the stereochemistry of central alkene (E- vs Z-) and the chirality of the sulfoxide . C9H14OS3 234.402 234.02067714 3-{[(1Z)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene 3-{[(1Z)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene 92285-00-2 C=CCSS\C=C/CS(=O)CC=C InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5- IXELFRRANAOWSF-ALCCZGGFSA-N belongs to the class of organic compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H). Sulfoxides Organic compounds Organosulfur compounds Sulfoxides Aliphatic acyclic compounds Allyl sulfur compounds Hydrocarbon derivatives Organic disulfides Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Allyl sulfur compound Hydrocarbon derivative Organic disulfide Organic oxide Organic oxygen compound Sulfenyl compound Sulfinyl compound Sulfoxide sulfoxide logp 2.58 ALOGPS logs -2.22 ALOGPS solubility 1.40e+00 g/l ALOGPS logp 1.66 ChemAxon pka_strongest_acidic 16.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-{[(1Z)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene ChemAxon average_mass 234.402 ChemAxon mono_mass 234.02067714 ChemAxon smiles C=CCSS\C=C/CS(=O)CC=C ChemAxon formula C9H14OS3 ChemAxon inchi InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5- ChemAxon inchikey IXELFRRANAOWSF-ALCCZGGFSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 69 ChemAxon polarizability 24.81 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5864 Specdb::CMs 131569 Specdb::CMs 139303 Specdb::MsMs 104901 Specdb::MsMs 104902 Specdb::MsMs 104903 Specdb::MsMs 171267 Specdb::MsMs 171268 Specdb::MsMs 171269 Specdb::MsMs 2807009 Specdb::MsMs 2807010 Specdb::MsMs 2807011 Specdb::MsMs 2898384 Specdb::MsMs 2898385 Specdb::MsMs 2898386 HMDB0033566 Garlic Type 1 specific Allium sativum 4682 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682