1.0 2010-04-08 22:13:20 UTC 2018-05-29 01:33:30 UTC FDB017818 5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene Isolated from Tagetes erecta (African marigold) 5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene TPL Triptolid Triptolide Triptolide (9CI) Triptolide, tripterygium wilfordII C14H10O3S2 290.357 290.007135566 2-oxo-4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-1-yl acetate 2-oxo-4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-1-yl acetate 1222-83-9 CC(=O)OCC(=O)C#CC1=CC=C(S1)C1=CC=CS1 InChI=1S/C14H10O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8H,9H2,1H3 DTTMMEKKOHDZHY-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 Alpha,beta-unsaturated ketones Alpha-acyloxy ketones Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides 2,5-disubstituted thiophene Alpha,beta-unsaturated ketone Alpha-acyloxy ketone Aromatic heteromonocyclic compound Bithiophene Carbonyl group Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Thiophene logp 3.35 ALOGPS logs -4.17 ALOGPS solubility 1.96e-02 g/l ALOGPS melting_point Mp 68° logp 3.44 ChemAxon pka_strongest_acidic 17.1 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 2-oxo-4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-1-yl acetate ChemAxon average_mass 290.357 ChemAxon mono_mass 290.007135566 ChemAxon smiles CC(=O)OCC(=O)C#CC1=CC=C(S1)C1=CC=CS1 ChemAxon formula C14H10O3S2 ChemAxon inchi InChI=1S/C14H10O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8H,9H2,1H3 ChemAxon inchikey DTTMMEKKOHDZHY-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 71.55 ChemAxon polarizability 30.14 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17068 Specdb::CMs 155401 Specdb::MsMs 42915 Specdb::MsMs 42916 Specdb::MsMs 42917 Specdb::MsMs 116745 Specdb::MsMs 116746 Specdb::MsMs 116747 Specdb::MsMs 2399520 Specdb::MsMs 2399521 Specdb::MsMs 2399522 Specdb::MsMs 2536694 Specdb::MsMs 2536695 Specdb::MsMs 2536696 HMDB38459 #<Reference:0x000055ce32fa3740>