2.0 2012-08-03 15:09:30 -0600 2015-06-03 17:21:25 -0600 ECMDB21406 M2MDB001801 2-Mercapto-1-methylimidazole 2-Mercapto-1-methylimidazole is a thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme. [PubChem] 1,3-Dihydro-1-methyl-2H-imidazole-2-thione 1-Methyl-1,3-dihydro-2H-imidazole-2-thione 1-Methyl-1,3-dihydroimidazole-2-thione 1-Methyl-2-imidazolethiol 1-Methyl-2-mercapto-Imidazole 1-Methyl-2-mercaptoimidazole 1-Methyl-4-Imidazoline-2-thione 1-Methyl-Imidazole-2-thio 1-Methyl-Imidazole-2-thiol 1-Methylimidazole-2(3H)-thione 1-Methylimidazole-2-thiol 1-Methylimidazole-2-thione 1-Metylo 2 merkaptoimidazolem 2-Mercaptomethylimidazole Basolan Danantizol Favistan Frentirox Mercaptazole Mercasolyl Mercazole Mercazolyl Merkastan Merkazolil Metazolo Methamazole Methiamazole Methimazol Methimazole Methylmercaptoimidazole Metizol Metothyrin Metothyrine Metotirin N-Methyl-2-mercaptoimidazole Strumazol Strumazole Tapazole Tapuzole Thacapzol Thiamazol Thiamazole Thiamazolum Thimazole Thycapsol Thycapzol Thymidazol Thymidazole Tiamazol USAF EL-30 C4H6N2S 114.169 114.025168892 1-methyl-2,3-dihydro-1H-imidazole-2-thione methimazole 60-56-0 CN1C=CNC1=S InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) PMRYVIKBURPHAH-UHFFFAOYSA-N Solid Cytoplasm logp -0.38 ALOGPS logs -1.00 ALOGPS solubility 1.13e+01 g/l ALOGPS melting_point 146 oC logp 0.75 ChemAxon pka_strongest_acidic 10.41 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-methyl-2,3-dihydro-1H-imidazole-2-thione ChemAxon average_mass 114.169 ChemAxon mono_mass 114.025168892 ChemAxon smiles CN1C=CNC1=S ChemAxon formula C4H6N2S ChemAxon inchi InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) ChemAxon inchikey PMRYVIKBURPHAH-UHFFFAOYSA-N ChemAxon polar_surface_area 15.27 ChemAxon refractivity 33.23 ChemAxon polarizability 11.64 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9432 Specdb::CMs 162415 Specdb::NmrOneD 153250 Specdb::NmrOneD 153251 Specdb::NmrOneD 153252 Specdb::NmrOneD 153253 Specdb::NmrOneD 153254 Specdb::NmrOneD 153255 Specdb::NmrOneD 153256 Specdb::NmrOneD 153257 Specdb::NmrOneD 153258 Specdb::NmrOneD 153259 Specdb::NmrOneD 153260 Specdb::NmrOneD 153261 Specdb::NmrOneD 153262 Specdb::NmrOneD 153263 Specdb::NmrOneD 153264 Specdb::NmrOneD 153265 Specdb::NmrOneD 153266 Specdb::NmrOneD 153267 Specdb::NmrOneD 153268 Specdb::NmrOneD 153269 Specdb::MsMs 27845 Specdb::MsMs 27846 Specdb::MsMs 27847 Specdb::MsMs 34403 Specdb::MsMs 34404 Specdb::MsMs 34405 Specdb::MsMs 440999 Specdb::MsMs 441000 Specdb::MsMs 441001 Specdb::MsMs 441002 Specdb::MsMs 446600 Specdb::MsMs 446601 Specdb::MsMs 446602 Specdb::MsMs 446603 Specdb::MsMs 446604 Specdb::MsMs 2239831 Specdb::MsMs 2254956 Specdb::MsMs 2255639 Specdb::MsMs 2257009 Specdb::MsMs 2257564 Specdb::MsMs 2258993 Specdb::MsMs 2259598 Specdb::MsMs 3218854 Specdb::MsMs 3218855 Specdb::MsMs 3218856 1349907 1131173 C07190 MMZ Ishii, N., Nakahigashi, K., Baba, T., Robert, M., Soga, T., Kanai, A., Hirasawa, T., Naba, M., Hirai, K., Hoque, A., Ho, P. Y., Kakazu, Y., Sugawara, K., Igarashi, S., Harada, S., Masuda, T., Sugiyama, N., Togashi, T., Hasegawa, M., Takai, Y., Yugi, K., Arakawa, K., Iwata, N., Toya, Y., Nakayama, Y., Nishioka, T., Shimizu, K., Mori, H., Tomita, M. (2007). "Multiple high-throughput analyses monitor the response of E. coli to perturbations." Science 316:593-597. 17379776 48 mM Na2HPO4, 22 mM KH2PO4, 10 mM NaCl, 45 mM (NH4)2SO4, supplemented with 1 mM MgSO4, 1 mg/l thiamine·HCl, 5.6 mg/l CaCl2, 8 mg/l FeCl3, 1 mg/l MnCl2·4H2O, 1.7 mg/l ZnCl2, 0.43 mg/l CuCl2·2H2O, 0.6 mg/l CoCl2·2H2O and 0.6 mg/l Na2MoO4·2H2O. 4 g/L Gluco Bioreactor, pH controlled, O2 and CO2 controlled, dilution rate: 0.2/h 186.0 uM 0.0 37 oC BW25113 Stationary Phase, glucose limited 744000 0 Ishii, N., Nakahigashi, K., Baba, T., Robert, M., Soga, T., Kanai, A., Hirasawa, T., Naba, M., Hirai, K., Hoque, A., Ho, P. Y., Kakazu, Y., Sugawara, K., Igarashi, S., Harada, S., Masuda, T., Sugiyama, N., Togashi, T., Hasegawa, M., Takai, Y., Yugi, K., Arakawa, K., Iwata, N., Toya, Y., Nakayama, Y., Nishioka, T., Shimizu, K., Mori, H., Tomita, M. (2007). "Multiple high-throughput analyses monitor the response of E. coli to perturbations." Science 316:593-597. 17379776