1.0 2010-04-08 22:06:04 UTC 2025-11-18 22:55:02 UTC FDB004082 Arctinol Arctinol b 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 b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctinol b can be found in burdock, which makes arctinol b a potential biomarker for the consumption of this food product. C13H12O2S2 264.363 264.027871008 1-{5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}ethane-1,2-diol 1-{5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}ethane-1,2-diol CC#CC1=CC=C(S1)C1=CC=C(S1)C(O)CO InChI=1S/C13H12O2S2/c1-2-3-9-4-5-12(16-9)13-7-6-11(17-13)10(15)8-14/h4-7,10,14-15H,8H2,1H3 RVVLUQPXASICPK-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 1,2-diols 2,5-disubstituted thiophenes Aromatic alcohols Heteroaromatic compounds Hydrocarbon derivatives Primary alcohols Secondary alcohols 1,2-diol 2,5-disubstituted thiophene Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Bithiophene Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Thiophene logp 2.42 ALOGPS logs -3.91 ALOGPS solubility 3.24e-02 g/l ALOGPS logp 3.03 ChemAxon pka_strongest_acidic 13.16 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 1-{5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}ethane-1,2-diol ChemAxon average_mass 264.363 ChemAxon mono_mass 264.027871008 ChemAxon smiles CC#CC1=CC=C(S1)C1=CC=C(S1)C(O)CO ChemAxon formula C13H12O2S2 ChemAxon inchi InChI=1S/C13H12O2S2/c1-2-3-9-4-5-12(16-9)13-7-6-11(17-13)10(15)8-14/h4-7,10,14-15H,8H2,1H3 ChemAxon inchikey RVVLUQPXASICPK-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 67.99 ChemAxon polarizability 28.81 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63474 Specdb::MsMs 63475 Specdb::MsMs 63476 Specdb::MsMs 120432 Specdb::MsMs 120433 Specdb::MsMs 120434 Specdb::MsMs 3599915 Specdb::MsMs 3599916 Specdb::MsMs 3599917 Specdb::MsMs 3599918 Specdb::MsMs 3599919 Specdb::MsMs 3599920 Burdock Type 1 specific Arctium lappa 4217