1.0 2010-04-08 22:10:24 UTC 2019-11-26 03:07:46 UTC FDB012862 4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol Constituent of the roots of Tagetes minuta (Mexican marigold), Tagetes subspecies 4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol is found in herbs and spices. 3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)- 3-Butyn-1-ol, 4-[2,2'-bithiophen]-5-yl- 4-(2,2'-bithien-5-yl)but-3-yn-1-ol 4-(5-(2-Thienyl)-2-thienyl)-3-butyn-1-ol 4-[2,2'-Bithiophen]-5-yl-3-butyn-1-ol 4-[5-(2-Thienyl)-2-thienyl]-3-butyn-1-ol, 8CI 5-(4-Hydroxy-1-butynyl)-2,2'-bithiophene 5-(4-hydroxy-but-1-ynyl)-2,2'-bithiophene 5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene 5-4-HYDROXYBUT-1-YNYL-22-BITHIOPHENE C12H10OS2 234.337 234.017306322 4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-1-ol 4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-1-ol 1137-87-7 OCCC#CC1=CC=C(S1)C1=CC=CS1 InChI=1S/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2 ASKPCVROMAYWEF-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 Heteroaromatic compounds Hydrocarbon derivatives Primary alcohols 2,5-disubstituted thiophene Alcohol Aromatic heteromonocyclic compound Bithiophene Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Thiophene 2,2'-bithiophenes a small molecule acetylenic compound logp 3.72 ALOGPS logs -3.96 ALOGPS solubility 2.54e-02 g/l ALOGPS melting_point Mp 68° logp 3.3 ChemAxon pka_strongest_acidic 15.58 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-1-ol ChemAxon average_mass 234.337 ChemAxon mono_mass 234.017306322 ChemAxon smiles OCCC#CC1=CC=C(S1)C1=CC=CS1 ChemAxon formula C12H10OS2 ChemAxon inchi InChI=1S/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2 ChemAxon inchikey ASKPCVROMAYWEF-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 61.96 ChemAxon polarizability 25.82 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15544 Specdb::CMs 43884 Specdb::CMs 166523 Specdb::MsMs 51042 Specdb::MsMs 51043 Specdb::MsMs 51044 Specdb::MsMs 129297 Specdb::MsMs 129298 Specdb::MsMs 129299 Specdb::MsMs 2699294 Specdb::MsMs 2699295 Specdb::MsMs 2699296 Specdb::MsMs 3005574 Specdb::MsMs 3005575 Specdb::MsMs 3005576 HMDB34453 16887 #<Reference:0x000055ce32d620f8> Herbs and Spices Unknown generic