1.0 2010-04-08 22:09:30 UTC 2019-11-26 03:04:38 UTC FDB011166 2-Propylthiophene Present in roast beef aroma. 2-Propylthiophene is found in animal foods. 2-n-PROPYL THIOPHENE 2-n-Propylthiophene 2-Propyl-thiophene Thiophene, 2-propyl- C7H10S 126.219 126.05032101 2-propylthiophene thiophene, 2-propyl- 1551-27-5 CCCC1=CC=CS1 InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3 BTXIJTYYMLCUHI-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Hydrocarbon derivatives Thiophenes Aromatic heteromonocyclic compound Heteroaromatic compound Hydrocarbon derivative Thiophene logp 3.47 ALOGPS logs -2.74 ALOGPS solubility 2.30e-01 g/l ALOGPS logp 3.29 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 2-propylthiophene ChemAxon average_mass 126.219 ChemAxon mono_mass 126.05032101 ChemAxon smiles CCCC1=CC=CS1 ChemAxon formula C7H10S ChemAxon inchi InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3 ChemAxon inchikey BTXIJTYYMLCUHI-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 37.35 ChemAxon polarizability 14.63 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6006 Specdb::MsIr 6007 Specdb::CMs 12906 Specdb::CMs 137042 Specdb::CMs 144776 Specdb::MsMs 88596 Specdb::MsMs 88597 Specdb::MsMs 88598 Specdb::MsMs 151353 Specdb::MsMs 151354 Specdb::MsMs 151355 Specdb::MsMs 2750455 Specdb::MsMs 2750456 Specdb::MsMs 2750457 Specdb::MsMs 2927656 Specdb::MsMs 2927657 Specdb::MsMs 2927658 HMDB33160 #<Reference:0x000055ce306e0740>