Thymol Blue Sodium Salt CAS #: 62625-21-2

Synonyms Thymolsulfonphthalein sodium salt; sodium hydrogen 4, 4'-(1, 1-dioxido-3h-2, 1-benzoxathiole-3, 3-diyl)bis(2-isopropyl-5-methylphenolate)(1:1:1); sodium hydrogen 4, 4'-(3H-2, 1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)phenolate] S, S-dioxide

Compound Formula: C27H29O5SNa Molecular Weight: 488.57 Appearance: Red-brown to brown or black powder Melting Point: 283-285 °C Boiling Point: N/A Density: N/A Solubility in H2O: N/A Exact Mass: 488.163339 Monoisotopic Mass: 488.163339

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: C27H29O5SNa Pubchem CID: 23692293 MDL Number: MFCD00151093 EC No.: 263-650-6 IUPAC Name: sodium; 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2, 1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)[O-])C(C)C)C(C)C)O.[Na+] InchI Identifier: InChI=1S/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-1 InchI Key: BAVBEHWEOJMHDS-UHFFFAOYSA-M