AG00IB20

62625-21-2 | Thymol Blue Sodium Salt

AG00IB20

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CAS Number	62625-21-2
Catalog Number	AG00IB20(AGN-PC-047C9V)
Chemical Name	Thymol Blue Sodium Salt
EC Number	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
InChI	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
MDL Number	MFCD00151093
Molecular Formula	C27H29NaO5S
Molecular Weight	488.5709
SMILES	[O-]C1=CC(C)=C(C2(C3=CC(C(C)C)=C(O)C=C3C)C4=CC=CC=C4S(O2)(=O)=O)C=C1C(C)C.[Na+]
Synonyms	Thymol Blue sodium salt, 62625-21-2, Thymol Blue, water soluble, MFCD00151093, Thymolsulfonphthalein sodium salt, J-610009, THYMOL BLUE, ACS, Thymol Blue sodium salt, ACS reagent, EINECS 263-650-6, thymol blue solu-tion, Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxide, AC1Q1V9D, SCHEMBL221559, Thymol Blue sodium salt, >=98%, KS-00000YE2, 6748AF, GT4225, AKOS027250855, AK176359, sodium hydrogen 4,4'-(1,1-dioxido-3h-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenolate)(1:1:1), FT-0697050, Thymol Blue sodium salt, 0.04% w/v aqueous solution, Thymol Blue sodium salt, ACS reagent, Dye content 95 %, Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, monosodium salt, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, S,S-dioxide, monosodium salt, potassium 4-[3-(4-hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-isopropyl-5-methylbenzenolate, sodium 4-[3-(4-hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxo-2,1|E6-benzoxathiol-3-yl]-2-isopropyl-5-methylbenzenolate, sodium4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate, Thymol blue, SodiumThymolBlue, Sodium thymol blue, C27H29O5S.Na, C27H30O5S.Na, C27-H30-O5-S.Na, /eIa(2)Y.OA paragraph sign AAENI, AR-1L5100, CID112884, Thymol Blue Sodium Salt Water Soluble 5gm, Thymol blue sodium salt (<lt/> 0.1%) in aqueous solution, 81012-93-3, 85473-32-1, Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, sodium salt (1:1), Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, monosodium salt, Phenol, 4,4'-(3H-2,1-benzoxathiol- 3-ylidene)bis[5-methyl-2-(1-methylethyl)-, S,S-dioxide, monosodium salt, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, S,S-dioxide, monosodium salt, Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)phenolate] S,S-dioxide,

Complexity	795
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	488.163g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	488.574g/mol
Monoisotopic Mass	488.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	95A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number