1.0 2010-04-08 22:13:18 UTC 2018-05-29 01:33:22 UTC FDB017788 5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene Isolated from Tagetes erecta (African marigold) 5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene 5-Ethenyl-5'-(1-propynyl)-2,2'-bithiophene Acti-dione benzoylacetate Acti-dione, benzoylacetate Actidione, benzoylacetate C13H10S2 230.348 230.0223917 2-(5-ethenylthiophen-2-yl)-5-(prop-1-yn-1-yl)thiophene 2-(5-ethenylthiophen-2-yl)-5-(prop-1-yn-1-yl)thiophene 17257-06-6 CC#CC1=CC=C(S1)C1=CC=C(S1)C=C InChI=1S/C13H10S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h4,6-9H,2H2,1H3 ZSPDHCUUQXDMTH-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 2,5-disubstituted thiophene Aromatic heteromonocyclic compound Bithiophene Heteroaromatic compound Hydrocarbon derivative Thiophene logp 5.40 ALOGPS logs -4.38 ALOGPS solubility 9.65e-03 g/l ALOGPS logp 5.16 ChemAxon pka_strongest_basic -8.4 ChemAxon iupac 2-(5-ethenylthiophen-2-yl)-5-(prop-1-yn-1-yl)thiophene ChemAxon average_mass 230.348 ChemAxon mono_mass 230.0223917 ChemAxon smiles CC#CC1=CC=C(S1)C1=CC=C(S1)C=C ChemAxon formula C13H10S2 ChemAxon inchi InChI=1S/C13H10S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h4,6-9H,2H2,1H3 ChemAxon inchikey ZSPDHCUUQXDMTH-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 64.9 ChemAxon polarizability 26.29 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16407 Specdb::CMs 153504 Specdb::MsMs 43161 Specdb::MsMs 43162 Specdb::MsMs 43163 Specdb::MsMs 159282 Specdb::MsMs 159283 Specdb::MsMs 159284 Specdb::MsMs 2737501 Specdb::MsMs 2737502 Specdb::MsMs 2737503 Specdb::MsMs 2968293 Specdb::MsMs 2968294 Specdb::MsMs 2968295 HMDB38430 #<Reference:0x000055ce32ded248>