1.0 2010-04-08 22:06:22 UTC 2025-11-18 22:57:13 UTC FDB004711 Carpasemine Carpasemine, also known as 1-benzylthiourea or benzylthiouronium chloride, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Carpasemine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carpasemine can be found in papaya, which makes carpasemine a potential biomarker for the consumption of this food product. C8H10N2S 166.243 166.05646902 benzylthiourea benzylthiourea NC(=S)NCC1=CC=CC=C1 InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11) UCGFRIAOVLXVKL-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Thioureas Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Thiourea logp 0.86 ALOGPS logs -2.34 ALOGPS solubility 7.55e-01 g/l ALOGPS logp 1.47 ChemAxon pka_strongest_acidic 13.06 ChemAxon pka_strongest_basic -3 ChemAxon iupac benzylthiourea ChemAxon average_mass 166.243 ChemAxon mono_mass 166.05646902 ChemAxon smiles NC(=S)NCC1=CC=CC=C1 ChemAxon formula C8H10N2S ChemAxon inchi InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11) ChemAxon inchikey UCGFRIAOVLXVKL-UHFFFAOYSA-N ChemAxon polar_surface_area 38.05 ChemAxon refractivity 50.64 ChemAxon polarizability 17.97 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46623 Specdb::MsMs 46624 Specdb::MsMs 46625 Specdb::MsMs 151989 Specdb::MsMs 151990 Specdb::MsMs 151991 Specdb::MsMs 3600866 Specdb::MsMs 3600867 Specdb::MsMs 3600868 Specdb::MsMs 3600869 Specdb::MsMs 3600870 Specdb::MsMs 3600871 Papaya Type 1 specific Carica papaya 3649