2.0 2012-08-03 15:09:32 -0600 2015-06-03 17:21:26 -0600 ECMDB21409 M2MDB001804 Methyl sulfate Methyl bisulfate is a chemical compound with the molecular formula CH3OSO3H. This compound is the mono-methyl ester of sulfuric acid. The significance of methyl bisulfate is that it is an intermediate in the hydrolysis of the important reagent dimethyl sulfate, (CH3)2SO4. Methyl bisulfate is an acid. Hexocyclium methyl sulfate Hexocyclium methyl sulfuric acid Hexocyclium methyl sulphate Hexocyclium methyl sulphuric acid Hexocyclium metilsulfate Hexocyclium metilsulfuric acid Hexocyclium metilsulphate Hexocyclium metilsulphuric acid Methyl hydrogen sulfate Methyl hydrogen sulfuric acid Methyl hydrogen sulphate Methyl hydrogen sulphuric acid Methyl sulfate Methyl sulfuric acid Methyl sulphate Methyl sulphuric acid Monomethyl sulfate Monomethyl sulfuric acid Monomethyl sulphate Monomethyl sulphuric acid CH4O4S 112.105 111.983029306 methoxysulfonic acid methyl sulfate 75-93-4 COS(O)(=O)=O InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4) JZMJDSHXVKJFKW-UHFFFAOYSA-N Solid Cytoplasm logp -1.94 ALOGPS logs -0.56 ALOGPS solubility 3.06e+01 g/l ALOGPS melting_point <-30 oC logp -0.46 ChemAxon pka_strongest_acidic -2.4 ChemAxon iupac methoxysulfonic acid ChemAxon average_mass 112.105 ChemAxon mono_mass 111.983029306 ChemAxon smiles COS(O)(=O)=O ChemAxon formula CH4O4S ChemAxon inchi InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4) ChemAxon inchikey JZMJDSHXVKJFKW-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 18.25 ChemAxon polarizability 8.45 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 105112 Specdb::CMs 117156 Specdb::NmrOneD 234318 Specdb::NmrOneD 234319 Specdb::NmrOneD 234320 Specdb::NmrOneD 234321 Specdb::NmrOneD 234322 Specdb::NmrOneD 234323 Specdb::NmrOneD 234324 Specdb::NmrOneD 234325 Specdb::NmrOneD 234326 Specdb::NmrOneD 234327 Specdb::NmrOneD 234328 Specdb::NmrOneD 234329 Specdb::NmrOneD 234330 Specdb::NmrOneD 234331 Specdb::NmrOneD 234332 Specdb::NmrOneD 234333 Specdb::NmrOneD 234334 Specdb::NmrOneD 234335 Specdb::NmrOneD 234336 Specdb::NmrOneD 234337 Specdb::MsMs 23012 Specdb::MsMs 23013 Specdb::MsMs 23014 Specdb::MsMs 29810 Specdb::MsMs 29811 Specdb::MsMs 29812 Specdb::MsMs 3444304 Specdb::MsMs 3444305 Specdb::MsMs 3444306 Specdb::MsMs 3444307 Specdb::MsMs 3444308 Specdb::MsMs 3444309 6412 6172 C02704 17760 Methyl_sulfate 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 130.0 uM 0.0 37 oC BW25113 Stationary Phase, glucose limited 520000 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