1.0 2010-04-08 22:06:05 UTC 2025-11-18 22:55:03 UTC FDB004083 Arctinol A Arctinol a is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinol a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctinol a can be found in burdock, which makes arctinol a a potential biomarker for the consumption of this food product. C12H10OS2 234.337 234.017306322 {5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}methanol {5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}methanol CC#CC1=CC=C(S1)C1=CC=C(CO)S1 InChI=1S/C12H10OS2/c1-2-3-9-4-6-11(14-9)12-7-5-10(8-13)15-12/h4-7,13H,8H2,1H3 APCVAJQBZZMWEY-UHFFFAOYSA-N belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Bi- and oligothiophenes Organic compounds Organoheterocyclic compounds Bi- and oligothiophenes Aromatic heteromonocyclic compounds 2,5-disubstituted thiophenes Aromatic alcohols Heteroaromatic compounds Hydrocarbon derivatives Primary alcohols 2,5-disubstituted thiophene Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Bithiophene Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Thiophene logp 3.66 ALOGPS logs -3.99 ALOGPS solubility 2.42e-02 g/l ALOGPS logp 3.66 ChemAxon pka_strongest_acidic 14.37 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac {5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}methanol ChemAxon average_mass 234.337 ChemAxon mono_mass 234.017306322 ChemAxon smiles CC#CC1=CC=C(S1)C1=CC=C(CO)S1 ChemAxon formula C12H10OS2 ChemAxon inchi InChI=1S/C12H10OS2/c1-2-3-9-4-6-11(14-9)12-7-5-10(8-13)15-12/h4-7,13H,8H2,1H3 ChemAxon inchikey APCVAJQBZZMWEY-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 62.03 ChemAxon polarizability 26.03 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 75453 Specdb::MsMs 75454 Specdb::MsMs 75455 Specdb::MsMs 135090 Specdb::MsMs 135091 Specdb::MsMs 135092 Specdb::MsMs 3599921 Specdb::MsMs 3599922 Specdb::MsMs 3599923 Specdb::MsMs 3599924 Specdb::MsMs 3599925 Specdb::MsMs 3599926 Burdock Type 1 specific Arctium lappa 4217 0.01 0.01 0.01 mg/100 g