1.0 2010-04-08 22:08:57 UTC 2025-11-18 23:18:30 UTC FDB010095 Poly(divinylbenzene-co-trimethyl(vinylbenzyl)ammonium chloride) It is used as a food additive . C10H16N6S 252.339 252.115715232 (Z)-N-cyano-N''-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine tagamet HB 60177-39-1 C\N=C(\NCCSCC1=C(C)NC=N1)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N belongs to the class of organic compounds known as imidazoles. Imidazoles are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. Imidazoles Organic compounds Organoheterocyclic compounds Azoles Imidazoles Aromatic heteromonocyclic compounds Azacyclic compounds Carboximidamides Dialkylthioethers Guanidines Heteroaromatic compounds Hydrocarbon derivatives Imines Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Aromatic heteromonocyclic compound Azacycle Carboximidamide Dialkylthioether Guanidine Heteroaromatic compound Hydrocarbon derivative Imidazole Imine Organic 1,3-dipolar compound Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Sulfenyl compound Thioether aliphatic sulfide guanidines imidazoles nitrile logp 0.44 ALOGPS logs -2.49 ALOGPS solubility 8.16e-01 g/l ALOGPS logp -0.11 ChemAxon pka_strongest_acidic 13.38 ChemAxon pka_strongest_basic 6.91 ChemAxon iupac (Z)-N-cyano-N''-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine ChemAxon average_mass 252.339 ChemAxon mono_mass 252.115715232 ChemAxon smiles C\N=C(\NCCSCC1=C(C)NC=N1)NC#N ChemAxon formula C10H16N6S ChemAxon inchi InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) ChemAxon inchikey AQIXAKUUQRKLND-UHFFFAOYSA-N ChemAxon polar_surface_area 88.89 ChemAxon refractivity 70.32 ChemAxon polarizability 27.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 621 Specdb::CMs 23457 Specdb::CMs 153513 Specdb::NmrOneD 2428 Specdb::NmrOneD 152930 Specdb::NmrOneD 152931 Specdb::NmrOneD 152932 Specdb::NmrOneD 152933 Specdb::NmrOneD 152934 Specdb::NmrOneD 152935 Specdb::NmrOneD 152936 Specdb::NmrOneD 152937 Specdb::NmrOneD 152938 Specdb::NmrOneD 152939 Specdb::NmrOneD 152940 Specdb::NmrOneD 152941 Specdb::NmrOneD 152942 Specdb::NmrOneD 152943 Specdb::NmrOneD 152944 Specdb::NmrOneD 152945 Specdb::NmrOneD 152946 Specdb::NmrOneD 152947 Specdb::NmrOneD 152948 Specdb::NmrOneD 152949 Specdb::MsMs 75855 Specdb::MsMs 75856 Specdb::MsMs 75857 Specdb::MsMs 135567 Specdb::MsMs 135568 Specdb::MsMs 135569 Specdb::MsMs 374734 Specdb::MsMs 436890 Specdb::MsMs 436891 Specdb::MsMs 436892 Specdb::MsMs 436893 Specdb::MsMs 436894 Specdb::MsMs 436895 Specdb::MsMs 436896 Specdb::MsMs 436897 Specdb::MsMs 436898 Specdb::MsMs 437504 Specdb::MsMs 437505 Specdb::MsMs 437506 Specdb::MsMs 437507 Specdb::MsMs 437508 Specdb::MsMs 444824 Specdb::MsMs 444825 Specdb::MsMs 444826 Specdb::MsMs 444827 HMDB0014644