1.02010-04-08 22:14:12 UTC2015-07-21 06:34:07 UTCFDB019210S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioateFlavouring agent with hydrolysed vegetable-type aroma and flavour2-Furancarbothioic acid, S-(2,5-dimethyl-3-furanyl) ester2,5-Dimethyl-3-(2-thiofuroyl)furan2,5-Dimethyl-3-thiofuroylfuran3-(2-Furoylthio)-2,5-dimethylfuran3(2-furoylthio)-2,5-dimethylfuranS-(2,5-Dimethyl-3-furyl) thio-2-furoateC11H10O3S222.26222.035064876[(2,5-dimethylfuran-3-yl)sulfanyl](furan-2-yl)methanone[(2,5-dimethylfuran-3-yl)sulfanyl](furan-2-yl)methanone55764-31-3CC1=CC(SC(=O)C2=CC=CO2)=C(C)O1InChI=1S/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3IHJDHYVSIRCWIT-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acid and derivatives. These are aromatic heterocyclic compounds containing a furan ring, which carries a carboxyl group or a derivative thereof.Furoic acid and derivativesOrganic compoundsOrganoheterocyclic compoundsFuransFuroic acid and derivativesAromatic heteromonocyclic compoundsAryl thioethersCarbothioic S-estersCarboxylic acids and derivativesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsSulfenyl compoundsThioestersAromatic heteromonocyclic compoundAryl thioetherCarbothioic s-esterCarboxylic acid derivativeFuroic acid or derivativesHeteroaromatic compoundHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundOxacycleSulfenyl compoundThiocarboxylic acid esterThiocarboxylic acid or derivativeslogp2.61logs-3.58solubility5.88e-02 g/llogp2.71pka_strongest_basic-2.8iupac[(2,5-dimethylfuran-3-yl)sulfanyl](furan-2-yl)methanoneaverage_mass222.26mono_mass222.035064876smilesCC1=CC(SC(=O)C2=CC=CO2)=C(C)O1formulaC11H10O3SinchiInChI=1S/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3inchikeyIHJDHYVSIRCWIT-UHFFFAOYSA-Npolar_surface_area43.35refractivity59.51polarizability23.15rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs14254Specdb::CMs154632Specdb::MsMs57279Specdb::MsMs57280Specdb::MsMs57281Specdb::MsMs112911Specdb::MsMs112912Specdb::MsMs112913Specdb::MsMs2828938Specdb::MsMs2828939Specdb::MsMs2828940Specdb::MsMs2853484Specdb::MsMs2853485Specdb::MsMs2853486HMDB39585#<Reference:0x0000555675c7ba20>vegetable