1.0 2010-04-08 22:09:57 UTC 2019-11-26 03:05:59 UTC FDB012023 (Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone Minor constituent of the roots of Chamaemelum nobile (Roman chamomile). (Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone is found in tea and herbs and spices. C10H8O2S 192.234 192.02450019 (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2,5-dihydrofuran-2-one (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one 5705-62-4 CC1=CC=C(S1)\C=C1\OC(=O)C=C1 InChI=1S/C10H8O2S/c1-7-2-4-9(13-7)6-8-3-5-10(11)12-8/h2-6H,1H3/b8-6+ YBBZWBTVSIDANF-SOFGYWHQSA-N belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. 2,5-disubstituted thiophenes Organic compounds Organoheterocyclic compounds Thiophenes 2,5-disubstituted thiophenes Aromatic heteromonocyclic compounds Butenolides Carbonyl compounds Enoate esters Enol esters Heteroaromatic compounds Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2,5-disubstituted thiophene 2-furanone Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydrofuran Enoate ester Enol ester Heteroaromatic compound Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 3.04 ALOGPS logs -3.36 ALOGPS solubility 8.45e-02 g/l ALOGPS melting_point Mp 117° logp 2.92 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac (5E)-5-[(5-methylthiophen-2-yl)methylidene]-2,5-dihydrofuran-2-one ChemAxon average_mass 192.234 ChemAxon mono_mass 192.02450019 ChemAxon smiles CC1=CC=C(S1)\C=C1\OC(=O)C=C1 ChemAxon formula C10H8O2S ChemAxon inchi InChI=1S/C10H8O2S/c1-7-2-4-9(13-7)6-8-3-5-10(11)12-8/h2-6H,1H3/b8-6+ ChemAxon inchikey YBBZWBTVSIDANF-SOFGYWHQSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 53.72 ChemAxon polarizability 19.84 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6302 Specdb::MsIr 6303 Specdb::CMs 21422 Specdb::CMs 153835 Specdb::MsMs 82770 Specdb::MsMs 82771 Specdb::MsMs 82772 Specdb::MsMs 144231 Specdb::MsMs 144232 Specdb::MsMs 144233 Specdb::MsMs 2727721 Specdb::MsMs 2727722 Specdb::MsMs 2727723 Specdb::MsMs 2978642 Specdb::MsMs 2978643 Specdb::MsMs 2978644 HMDB33845 #<Reference:0x000055ce3102fc38> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442