1.0 2010-04-08 22:14:42 UTC 2018-05-29 01:44:11 UTC FDB019950 1,1'-Thiobis-1-propanethiol It is used as a food additive Bis(1-mercaptopropyl) sulfide C6H14S3 182.37 182.025762518 1-[(1-sulfanylpropyl)sulfanyl]propane-1-thiol 1-[(1-sulfanylpropyl)sulfanyl]propane-1-thiol 53897-60-2 CCC(S)SC(S)CC InChI=1S/C6H14S3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3 MPDULAQZHPFPOG-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 2.92 ALOGPS logs -3.34 ALOGPS solubility 8.31e-02 g/l ALOGPS logp 3.32 ChemAxon pka_strongest_acidic 9.25 ChemAxon iupac 1-[(1-sulfanylpropyl)sulfanyl]propane-1-thiol ChemAxon average_mass 182.37 ChemAxon mono_mass 182.025762518 ChemAxon smiles CCC(S)SC(S)CC ChemAxon formula C6H14S3 ChemAxon inchi InChI=1S/C6H14S3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3 ChemAxon inchikey MPDULAQZHPFPOG-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 52.36 ChemAxon polarizability 20.59 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24717 Specdb::CMs 134807 Specdb::CMs 142541 Specdb::MsMs 108627 Specdb::MsMs 108628 Specdb::MsMs 108629 Specdb::MsMs 175893 Specdb::MsMs 175894 Specdb::MsMs 175895 Specdb::MsMs 2443726 Specdb::MsMs 2443727 Specdb::MsMs 2443728 Specdb::MsMs 2521845 Specdb::MsMs 2521846 Specdb::MsMs 2521847 HMDB40235 #<Reference:0x000055ce32647840> garlic green onion sulfurous