1.0 2016-05-25 22:18:52 UTC 2026-08-23 04:44:07 UTC 2-Propene-1-sulfinothiocic-acids 2-propenyl ester SmallMolecule 2-Propene-1-sulfinothiocic-acids 2-propenyl ester belongs to the thiosulfinic acid esters, a class of organic acids and derivatives within the organic compounds. This compound has the chemical formula C6H10OS2 and an average molecular weight of 162.27 g/mol. Biologically, it functions as an antioxidant (PMC10409574). It has been noted for providing therapeutic effects on blood pressure and inflammation (PMC10409574). The compound is found in or released from 27 recorded sources across multiple sectors. These include healthcare, pharmaceuticals, and veterinary products via medical devices; energy, oil, and gas via lubricants; and textiles, leather, and furnishings, specifically carpets, rugs, and synthetic textiles. It is also associated with electrical and electronic equipment, including capacitors, batteries, printed circuit boards, wires, cables, and cell phones. Within the category of household cleaning and consumer products, it is found in tobacco product cases, pipe accessories, cigar cigarettes, and other smoking requisites. Additionally, it is present in food, food processing, and cookware, including the preparation of wine or sparkling wine, the preparation of vinegar, fermentation processes for beer, molasses, and the treatment of molasses, among three other sources. Recorded routes of exposure for this substance include touch, oral, and inhalation. PFAS Phytotoxin Allicin Allyl-2-propene thiosulfinate C6H10OS2 162.273 162.017306322 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene allicin 539-86-6 C=CCSS(=O)CC=C InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2 JDLKFOPOAOFWQN-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Thiosulfinic acid esters Thiosulfinic acid esters Allyl sulfur compounds Hydrocarbon derivatives Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Allyl sulfur compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organosulfur compound Sulfenyl compound Sulfinyl compound Thiosulfinic acid ester Aliphatic acyclic compounds an organosulfur compound botanical anti-fungal agent sulfoxide Detected and Not Quantified logp 2.02 logp 1.16 ALOGPS logs -1.42 ALOGPS solubility 6.13e+00 g/l ALOGPS logp 2.02 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene ChemAxon average_mass 162.273 ChemAxon mono_mass 162.017306322 ChemAxon smiles C=CCSS(=O)CC=C ChemAxon formula C6H10OS2 ChemAxon inchi InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2 ChemAxon inchikey JDLKFOPOAOFWQN-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.93 ChemAxon polarizability 17.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f5c08d0> DB11780 65036 58548