Methylthymol Blue CAS #: 1945-77-3

Synonyms Methylthymol Blue sodium salt; Methyl thymol Blue; Thymolsulfonphthalein-3', 3"-bis(methyliminodiacetic acid sodium salt); 3, 3'-Bis[N, N-di(carboxymethyl)aminomethyl]thymolsulfonephthalein sodium salt tetrasodium 2, 2', 2'', 2'''-{(1, 1-dioxido-3h-2, 1-benzoxathiole-3, 3-diyl)bis[(6-hydroxy-5-isopropyl-2-methyl-3, 1-phenylene)methylenenitrilo]}tetraacetate;

Compound Formula: C37H40N2O13SNa4 Molecular Weight: 844.74 Appearance: Dark green powder Melting Point: N/A Boiling Point: N/A Density: N/A Solubility in H2O: N/A Exact Mass: 844.184187 Monoisotopic Mass: 844.184187

Health & Safety Information Signal Word: N/A Hazard Statements: N/A Hazard Codes: N/A Risk Codes: N/A Safety Statements: N/A Transport Information: N/A

Chemical Identifiers Linear Formula: C37H40N2O13SNa4 Pubchem CID: 73037 MDL Number: MFCD00148905 EC No.: 217-743-3 IUPAC Name: tetrasodium; 2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)Cc1c(O)c(cc(c1C)C3(OS(=O)(=O)c2ccccc23)c4cc(c(O)c(c4C)CN(CC([O-])=O)CC([O-])=O)C(C)C)C(C)C InchI Identifier: InChI=1S/C37H44N2O13S.4Na/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47;;;;/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H InchI Key: DIZZDZCUMBBRSG-UHFFFAOYSA-J