1.0 2010-04-08 22:14:07 UTC 2020-02-24 19:11:01 UTC FDB019068 (E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate Constituent of garlic (Allium sativum). (E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate is found in garlic and onion-family vegetables. C9H14O4S2 250.335 250.033350316 prop-2-en-1-yl (2E)-3-(prop-2-en-1-ylsulfanyl)prop-2-en-1-yl sulfate prop-2-en-1-yl (2E)-3-(prop-2-en-1-ylsulfanyl)prop-2-en-1-yl sulfate C=CCOS(=O)(=O)OC\C=C\SCC=C InChI=1S/C9H14O4S2/c1-3-6-12-15(10,11)13-7-5-9-14-8-4-2/h3-5,9H,1-2,6-8H2/b9-5+ LRKSHTQJEZSHGG-WEVVVXLNSA-N belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group). Sulfuric acid diesters Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters Aliphatic acyclic compounds Alkyl sulfates Allyl sulfur compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Sulfenyl compounds Thioenol ethers Aliphatic acyclic compound Alkyl sulfate Allyl sulfur compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Sulfenyl compound Sulfuric acid diester Thioenolether logp 1.30 ALOGPS logs -3.09 ALOGPS solubility 2.02e-01 g/l ALOGPS logp 2.24 ChemAxon iupac prop-2-en-1-yl (2E)-3-(prop-2-en-1-ylsulfanyl)prop-2-en-1-yl sulfate ChemAxon average_mass 250.335 ChemAxon mono_mass 250.033350316 ChemAxon smiles C=CCOS(=O)(=O)OC\C=C\SCC=C ChemAxon formula C9H14O4S2 ChemAxon inchi InChI=1S/C9H14O4S2/c1-3-6-12-15(10,11)13-7-5-9-14-8-4-2/h3-5,9H,1-2,6-8H2/b9-5+ ChemAxon inchikey LRKSHTQJEZSHGG-WEVVVXLNSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 63.12 ChemAxon polarizability 25.57 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 109842 Specdb::MsMs 109843 Specdb::MsMs 109844 Specdb::MsMs 177378 Specdb::MsMs 177379 Specdb::MsMs 177380 Specdb::MsMs 2780800 Specdb::MsMs 2780801 Specdb::MsMs 2780802 Specdb::MsMs 2924224 Specdb::MsMs 2924225 Specdb::MsMs 2924226 Specdb::CMs 18780 Specdb::CMs 132367 Specdb::CMs 140101 HMDB39464 #<Reference:0x000055ce32794478> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Garlic Type 1 specific Allium sativum 4682 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875