1.0 2010-04-08 22:08:47 UTC 2018-05-28 23:25:24 UTC FDB009779 L-Menthone 1,2-glycerol ketal It is used as a food additive . C16H15N3OS 297.375 297.093582807 3-(benzylsulfanyl)-5-(2-methoxyphenyl)-1H-1,2,4-triazole 3-(benzylsulfanyl)-5-(2-methoxyphenyl)-1H-1,2,4-triazole 577746-42-0 COC1=CC=CC=C1C1=NC(SCC2=CC=CC=C2)=NN1 InChI=1S/C16H15N3OS/c1-20-14-10-6-5-9-13(14)15-17-16(19-18-15)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18,19) MOHAAJWDZWJRHY-UHFFFAOYSA-N belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. Phenyl-1,2,4-triazoles Organic compounds Organoheterocyclic compounds Azoles Triazoles Aromatic heteromonocyclic compounds Alkyl aryl ethers Alkylarylthioethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Sulfenyl compounds Alkyl aryl ether Alkylarylthioether Anisole Aromatic heteromonocyclic compound Aryl thioether Azacycle Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenol ether Phenoxy compound Phenyl-1,2,4-triazole Sulfenyl compound Thioether logp 3.54 ALOGPS logs -4.58 ALOGPS solubility 7.82e-03 g/l ALOGPS logp 4.39 ChemAxon pka_strongest_acidic 8.2 ChemAxon pka_strongest_basic -0.0078 ChemAxon iupac 3-(benzylsulfanyl)-5-(2-methoxyphenyl)-1H-1,2,4-triazole ChemAxon average_mass 297.375 ChemAxon mono_mass 297.093582807 ChemAxon smiles COC1=CC=CC=C1C1=NC(SCC2=CC=CC=C2)=NN1 ChemAxon formula C16H15N3OS ChemAxon inchi InChI=1S/C16H15N3OS/c1-20-14-10-6-5-9-13(14)15-17-16(19-18-15)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,18,19) ChemAxon inchikey MOHAAJWDZWJRHY-UHFFFAOYSA-N ChemAxon polar_surface_area 50.8 ChemAxon refractivity 97.85 ChemAxon polarizability 32.55 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15967 Specdb::MsMs 98544 Specdb::MsMs 98545 Specdb::MsMs 98546 Specdb::MsMs 163491 Specdb::MsMs 163492 Specdb::MsMs 163493 HMDB32367 570932 #<Reference:0x000055ce31d5ae80>