1.0 2020-04-02 17:43:58 UTC 2025-11-19 03:07:45 UTC FDB097271 E-Ajoene C9H14OS3 234.39 234.020678593 3-{[(1E)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene ajoene C=CCSS\C=C\C[S@@](=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+/t13-/m0/s1 IXELFRRANAOWSF-IYNGYCSASA-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 14.9 ChemAxon pka_strongest_basic -8.1 ChemAxon iupac 3-{[(1E)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene ChemAxon average_mass 234.39 ChemAxon mono_mass 234.020678593 ChemAxon smiles C=CCSS\C=C\C[S@@](=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+/t13-/m0/s1 ChemAxon inchikey IXELFRRANAOWSF-IYNGYCSASA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 69 ChemAxon polarizability 24.99 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5907 Specdb::MsMs 241078 Specdb::MsMs 241079 Specdb::MsMs 241080 Specdb::MsMs 243133 Specdb::MsMs 243134 Specdb::MsMs 243135 Garlic Type 1 specific Allium sativum 4682 Milk (Cow) Type 2 specific 38.495 117.0 0.58 uM