1.0 2010-04-08 22:11:03 UTC 2019-11-26 03:09:28 UTC FDB014059 2-Ethylthiophene Maillard product; present in roast meat aroma. 2-Ethylthiophene is found in animal foods and guava. 2-Ethyl-thiophene Ethylthiophene Histaminol Thiophene, 2-ethyl- C6H8S 112.193 112.034670946 2-ethylthiophene 2-ethylthiophene 872-55-9 CCC1=CC=CS1 InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3 JCCCMAAJYSNBPR-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 2.90 ALOGPS logs -2.28 ALOGPS solubility 5.88e-01 g/l ALOGPS logp 2.84 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 2-ethylthiophene ChemAxon average_mass 112.193 ChemAxon mono_mass 112.034670946 ChemAxon smiles CCC1=CC=CS1 ChemAxon formula C6H8S ChemAxon inchi InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3 ChemAxon inchikey JCCCMAAJYSNBPR-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 32.74 ChemAxon polarizability 12.56 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16980 Specdb::CMs 28915 Specdb::CMs 101734 Specdb::CMs 137644 Specdb::CMs 145378 Specdb::MsIr 6912 Specdb::MsIr 6913 Specdb::MsMs 59700 Specdb::MsMs 59701 Specdb::MsMs 59702 Specdb::MsMs 115896 Specdb::MsMs 115897 Specdb::MsMs 115898 Specdb::MsMs 2722491 Specdb::MsMs 2722492 Specdb::MsMs 2722493 Specdb::MsMs 2960118 Specdb::MsMs 2960119 Specdb::MsMs 2960120 HMDB35384 #<Reference:0x000055ce332ea570> Guava Type 1 specific Psidium guajava 120290