1.0 2010-04-08 22:06:13 UTC 2025-11-18 22:56:06 UTC FDB004400 2-Methylquinoline 2-methylquinoline is a member of the class of compounds known as hydroquinolines. Hydroquinolines are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. 2-methylquinoline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-methylquinoline can be found in tea, which makes 2-methylquinoline a potential biomarker for the consumption of this food product. Quinaldine or 2-methylquinoline is an organic compound with the formula CH3C9H6N. It is one of the methyl derivative of a heterocyclic compound quinoline. It is bioactive and is used in the preparation of various dyes. It is a colorless oil but commercial samples can be colored . α-methylquinoline 2-Methyl-4-quinolinethiol 2-Methyl-quinoline-4-thiol 2-Methylchinolin 2-Methylquinoline 4-Mercapto-2-methylquinoline 4-Quinolinethiol, 2-methyl- 4-Tio-2-metilchinolina Chinaldine Khinaldin Quinaldine Quinoline, 2-methyl- C10H9NS 175.25 175.045569983 2-methyl-1,4-dihydroquinoline-4-thione 2-methyl-1H-quinoline-4-thione 91-63-4 CC1=CC(=S)C2=CC=CC=C2N1 InChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12) FQKLIBNGRKRDCL-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. Hydroquinolines Organic compounds Organoheterocyclic compounds Quinolines and derivatives Hydroquinolines Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Methylpyridines Organonitrogen compounds Organopnictogen compounds Organosulfur compounds Aromatic heteropolycyclic compound Azacycle Benzenoid Dihydroquinoline Heteroaromatic compound Hydrocarbon derivative Methylpyridine Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Pyridine liquid logp 1.84 ALOGPS logs -3.26 ALOGPS solubility 9.73e-02 g/l ALOGPS melting_point -1.5 oC logp 2.39 ChemAxon pka_strongest_acidic 14.12 ChemAxon pka_strongest_basic 0.12 ChemAxon iupac 2-methyl-1,4-dihydroquinoline-4-thione ChemAxon average_mass 175.25 ChemAxon mono_mass 175.045569983 ChemAxon smiles CC1=CC(=S)C2=CC=CC=C2N1 ChemAxon formula C10H9NS ChemAxon inchi InChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12) ChemAxon inchikey FQKLIBNGRKRDCL-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 58.83 ChemAxon polarizability 19.29 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86007 Specdb::MsMs 86008 Specdb::MsMs 86009 Specdb::MsMs 148218 Specdb::MsMs 148219 Specdb::MsMs 148220 Specdb::MsMs 3600374 Specdb::MsMs 3600375 Specdb::MsMs 3600376 Specdb::MsMs 3600377 Specdb::MsMs 3600378 Specdb::MsMs 3600379 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442