1.0 2010-04-08 22:14:33 UTC 2025-11-19 02:24:26 UTC FDB019743 xi-1-(Propylthio)-1-propanethiol Constituent of onion volatiles. Formed by reaction of propanol, H2S and 1-propanethiol. xi-1-(Propylthio)-1-propanethiol is found in onion-family vegetables. C6H14S2 150.305 150.053691828 1-(propylsulfanyl)propane-1-thiol 1-(propylsulfanyl)propane-1-thiol CCCSC(S)CC InChI=1S/C6H14S2/c1-3-5-8-6(7)4-2/h6-7H,3-5H2,1-2H3 STQMMGQDGYHHII-UHFFFAOYSA-N belongs to the class of organic compounds known as hemiacetals. Hemiacetals are compounds comprising the hemiacetal functional group, with the general formula R2C(OH)OR' ( R' not Hydrogen ). Hemiacetals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic acyclic compounds Alkylthiols Dialkylthioethers Dithiohemiacetals Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Alkylthiol Dialkylthioether Dithiohemiacetal Hemiacetal Hydrocarbon derivative Organosulfur compound Sulfenyl compound Thioether logp 3.41 ALOGPS logs -3.08 ALOGPS solubility 1.24e-01 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_acidic 9.56 ChemAxon iupac 1-(propylsulfanyl)propane-1-thiol ChemAxon average_mass 150.305 ChemAxon mono_mass 150.053691828 ChemAxon smiles CCCSC(S)CC ChemAxon formula C6H14S2 ChemAxon inchi InChI=1S/C6H14S2/c1-3-5-8-6(7)4-2/h6-7H,3-5H2,1-2H3 ChemAxon inchikey STQMMGQDGYHHII-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 44.95 ChemAxon polarizability 18.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8564 Specdb::MsIr 8565 Specdb::MsIr 8566 Specdb::CMs 18126 Specdb::CMs 166627 Specdb::MsMs 306172 Specdb::MsMs 306173 Specdb::MsMs 306174 Specdb::MsMs 349723 Specdb::MsMs 349724 Specdb::MsMs 349725 Specdb::MsMs 2303685 Specdb::MsMs 2303686 Specdb::MsMs 2303687 Specdb::MsMs 3065921 Specdb::MsMs 3065922 Specdb::MsMs 3065923 HMDB40056 #<Reference:0x00007f08adcf09d8> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875