1.0 2010-04-08 22:14:46 UTC 2019-11-26 03:18:25 UTC FDB020071 Thial-1-Propene-1-thiol S-oxide Lachrymatory factor of onion (Allium cepa). Thial-1-Propene-1-thiol S-oxide is found in garden onion and onion-family vegetables. Thiopropanal S-oxide C3H6OS 90.144 90.013935504 1-sulfinylidenepropane propanethial, S-oxide 32157-29-2 CCC=S=O InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3 BAZSXBOAXJLRNH-UHFFFAOYSA-N belongs to the class of organic compounds known as thioaldehyde s-oxides. Thioaldehyde s-oxides are compounds having the general structure RC(=S=O)H. Thioaldehyde s-oxides Organic compounds Organosulfur compounds Thiocarbonyl compounds Thioaldehydes Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Sulfines Sulfinyl compounds Aliphatic acyclic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Sulfine Sulfinyl compound Thioaldehyde-s-oxide an organosulfur compound sulfoxide thiocarbonyl compound logp -0.15 ALOGPS logs -0.15 ALOGPS solubility 6.42e+01 g/l ALOGPS logp 1.15 ChemAxon iupac 1-sulfinylidenepropane ChemAxon average_mass 90.144 ChemAxon mono_mass 90.013935504 ChemAxon smiles CCC=S=O ChemAxon formula C3H6OS ChemAxon inchi InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3 ChemAxon inchikey BAZSXBOAXJLRNH-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 22.16 ChemAxon polarizability 9.14 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8922 Specdb::MsIr 8923 Specdb::CMs 5979 Specdb::CMs 147411 Specdb::NmrOneD 39982 Specdb::NmrOneD 39983 Specdb::NmrOneD 39984 Specdb::NmrOneD 39985 Specdb::NmrOneD 39986 Specdb::NmrOneD 39987 Specdb::NmrOneD 39988 Specdb::NmrOneD 39989 Specdb::NmrOneD 39990 Specdb::NmrOneD 39991 Specdb::NmrOneD 39992 Specdb::NmrOneD 39993 Specdb::NmrOneD 39994 Specdb::NmrOneD 39995 Specdb::NmrOneD 39996 Specdb::NmrOneD 39997 Specdb::NmrOneD 39998 Specdb::NmrOneD 39999 Specdb::NmrOneD 40000 Specdb::NmrOneD 40001 Specdb::MsMs 95124 Specdb::MsMs 95125 Specdb::MsMs 95126 Specdb::MsMs 159312 Specdb::MsMs 159313 Specdb::MsMs 159314 Specdb::MsMs 2260756 Specdb::MsMs 2260757 Specdb::MsMs 2260758 Specdb::MsMs 3078264 Specdb::MsMs 3078265 Specdb::MsMs 3078266 HMDB40346 #<Reference:0x000055ce30f17eb8> 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