1.0 2016-05-26 02:54:57 UTC 2026-09-01 12:59:00 UTC Methyl glucosinolate SmallMolecule Methyl glucosinolate is an organic compound with the chemical formula C8H15NO9S2 and an average molecular weight of 333.34 g/mol. Methyl glucosinolate belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging from the food, food processing and cookware sector, and in medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used in both industrial manufacturing and chemical processing as well as in the energy, oil and gas sectors, with one more sector also recorded. Recorded exposure routes for methyl glucosinolate include oral, inhalation, and touch. PFAS Phytotoxin C8H15NO9S2 333.336 333.018822463 {[(E)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxy}sulfonic acid [(E)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxysulfonic acid 497-77-8 C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/b9-3+ UBTOEGCOMHAXGV-YCRREMRBSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Alkylglucosinolates Hydrocarbon derivatives Monothioacetals Organic oxides Organic sulfuric acids and derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sulfenyl compounds Thioglycosides Alcohol Aliphatic heteromonocyclic compound Alkylglucosinolate Glycosyl compound Hydrocarbon derivative Monothioacetal Organic nitrogen compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Organosulfur compound Oxacycle Oxane Polyol Primary alcohol S-glycosyl compound Secondary alcohol Sulfenyl compound Aliphatic heteromonocyclic compounds Detected and Not Quantified logp -1.8 logp -1.88 ALOGPS logs -0.90 ALOGPS solubility 4.20e+01 g/l ALOGPS logp -4.1 ChemAxon pka_strongest_acidic -3.7 ChemAxon pka_strongest_basic -0.45 ChemAxon iupac {[(E)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxy}sulfonic acid ChemAxon average_mass 333.336 ChemAxon mono_mass 333.018822463 ChemAxon smiles C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O ChemAxon formula C8H15NO9S2 ChemAxon inchi InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/b9-3+ ChemAxon inchikey UBTOEGCOMHAXGV-YCRREMRBSA-N ChemAxon polar_surface_area 166.11 ChemAxon refractivity 65.43 ChemAxon polarizability 29.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222107958> 21600408 58145368