1.0 2010-04-08 22:09:34 UTC 2025-11-18 23:26:02 UTC FDB011292 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene Isolated from Tagetes minuta (Mexican marigold). 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene is found in herbs and spices. 1-Chloro-4-[5-(3-thienyl)-2-thienyl]-3-butyn-2-ol, 8CI 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene C12H9ClOS2 268.782 267.978333997 1-chloro-4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-2-ol 1-chloro-4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-2-ol 1020-03-7 OC(CCl)C#CC1=CC=C(S1)C1=CC=CS1 InChI=1S/C12H9ClOS2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,14H,8H2 GFYWABYZRGXGNU-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 Alkyl chlorides Chlorohydrins Heteroaromatic compounds Hydrocarbon derivatives Organochlorides Secondary alcohols 2,5-disubstituted thiophene Alcohol Alkyl chloride Alkyl halide Aromatic heteromonocyclic compound Bithiophene Chlorohydrin Halohydrin Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Secondary alcohol Thiophene logp 3.82 ALOGPS logs -4.08 ALOGPS solubility 2.25e-02 g/l ALOGPS melting_point Mp 55° logp 3.74 ChemAxon pka_strongest_acidic 12.55 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 1-chloro-4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-2-ol ChemAxon average_mass 268.782 ChemAxon mono_mass 267.978333997 ChemAxon smiles OC(CCl)C#CC1=CC=C(S1)C1=CC=CS1 ChemAxon formula C12H9ClOS2 ChemAxon inchi InChI=1S/C12H9ClOS2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,14H,8H2 ChemAxon inchikey GFYWABYZRGXGNU-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 66.22 ChemAxon polarizability 27.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12780 Specdb::CMs 43185 Specdb::CMs 162877 Specdb::MsMs 87813 Specdb::MsMs 87814 Specdb::MsMs 87815 Specdb::MsMs 150402 Specdb::MsMs 150403 Specdb::MsMs 150404 Specdb::MsMs 2697873 Specdb::MsMs 2697874 Specdb::MsMs 2697875 Specdb::MsMs 2984081 Specdb::MsMs 2984082 Specdb::MsMs 2984083 HMDB33269 #<Reference:0x000055ce33637ef8> Herbs and Spices Unknown generic