1.0 2010-04-08 22:14:46 UTC 2019-11-26 03:18:25 UTC FDB020070 1-Propene-1-thiol Volatile flavour-component of Allium subspecies 1-Propene-1-thiol is found in onion-family vegetables. (1E)-1-Propene-1-thiol 1-Mercapto-1-propene 1-propenethiol 1-Propenylthiol Ethyl magnesium bromide Propanethial Thiopropanal Thiopropionaldehyde C3H6S 74.145 74.019020882 (1E)-prop-1-ene-1-thiol (1E)-prop-1-ene-1-thiol 16696-81-4 C\C=C\S InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3/b3-2+ RIZGKEIRSQLIBK-NSCUHMNNSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Thioenols Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative Thioenol logp 2.04 ALOGPS logs -1.12 ALOGPS solubility 5.63e+00 g/l ALOGPS logp 1.34 ChemAxon pka_strongest_acidic 9.18 ChemAxon iupac (1E)-prop-1-ene-1-thiol ChemAxon average_mass 74.145 ChemAxon mono_mass 74.019020882 ChemAxon smiles C\C=C\S ChemAxon formula C3H6S ChemAxon inchi InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3/b3-2+ ChemAxon inchikey RIZGKEIRSQLIBK-NSCUHMNNSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 23.85 ChemAxon polarizability 8.41 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8919 Specdb::MsIr 8920 Specdb::MsIr 8921 Specdb::CMs 24156 Specdb::CMs 133595 Specdb::CMs 141329 Specdb::MsMs 319507 Specdb::MsMs 319508 Specdb::MsMs 319509 Specdb::MsMs 366643 Specdb::MsMs 366644 Specdb::MsMs 366645 Specdb::MsMs 2712476 Specdb::MsMs 2712477 Specdb::MsMs 2712478 Specdb::MsMs 2997095 Specdb::MsMs 2997096 Specdb::MsMs 2997097 Specdb::NmrOneD 39962 Specdb::NmrOneD 39963 Specdb::NmrOneD 39964 Specdb::NmrOneD 39965 Specdb::NmrOneD 39966 Specdb::NmrOneD 39967 Specdb::NmrOneD 39968 Specdb::NmrOneD 39969 Specdb::NmrOneD 39970 Specdb::NmrOneD 39971 Specdb::NmrOneD 39972 Specdb::NmrOneD 39973 Specdb::NmrOneD 39974 Specdb::NmrOneD 39975 Specdb::NmrOneD 39976 Specdb::NmrOneD 39977 Specdb::NmrOneD 39978 Specdb::NmrOneD 39979 Specdb::NmrOneD 39980 Specdb::NmrOneD 39981 HMDB40345 #<Reference:0x000055ce32b6a660> 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