Glycinethymol Blue
[CAS 3810-63-7]

Identification

• Name: Glycinethymol Blue
• Synonyms: 2-[[5-[3-[3-[(Carboxymethylamino)Methyl]-4-Hydroxy-5-Isopropyl-2-Methyl-Phenyl]-1,1-Dioxo-Benzo[C]Oxathiol-3-Yl]-2-Hydroxy-3-Isopropyl-6-Methyl-Phenyl]Methylamino]Acetic Acid; 2-[[5-[3-[3-[(Carboxymethylamino)Methyl]-4-Hydroxy-5-Isopropyl-2-Methylphenyl]-1,1-Dioxo-3-Benzo[C]Oxathiolyl]-2-Hydroxy-3-Isopropyl-6-Methylphenyl]Methylamino]Acetic Acid; 2-[[5-[3-[3-[(Carboxymethylamino)Methyl]-4-Hydroxy-5-Isopropyl-2-Methyl-Phenyl]-1,1-Diketo-Benzo[C]Oxathiol-3-Yl]-2-Hydroxy-3-Isopropyl-6-Methyl-Benzyl]Amino]Acetic Acid
• Molecular Formula: C₃₃H₄₀N₂O₉S
• Molecular Weight: 640.75
• CAS Registry Number: 3810-63-7
• EINECS: 223-285-5
• SMILES: C1=CC=CC2=C1C(O[S]2(=O)=O)(C3=C(C(=C(O)C(=C3)C(C)C)CNCC(=O)O)C)C4=C(C(=C(O)C(=C4)C(C)C)CNCC(=O)O)C
• InChI: 1S/C33H40N2O9S/c1-17(2)21-11-26(19(5)23(31(21)40)13-34-15-29(36)37)33(25-9-7-8-10-28(25)45(42,43)44-33)27-12-22(18(3)4)32(41)24(20(27)6)14-35-16-30(38)39/h7-12,17-18,34-35,40-41H,13-16H2,1-6H3,(H,36,37)(H,38,39)
• InChIKey: SHYNCDVGSJTRCP-UHFFFAOYSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 772.387°C at 760 mmHg (Cal.)
• Flash point: 420.925°C (Cal.)