Methylthymol Blue
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Methylthymol Blue
structure -
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CAS No:
1945-77-3
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Formula:
C37H44N2O13S.4Na
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Chemical Name:
Methylthymol Blue
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Synonyms:
Glycine,N,N′-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-,sodium salt (1:4);Methylthymol Blue;Acetic acid,[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-isopropyl-2-methyl-m-phenylene)methylenenitrilo]]tetra-,S,S-dioxide,tetrasodium salt;Glycine,N,N′-[3H-2,1-benzoxathiol-3-ylidenebis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-,S,S-dioxide,tetrasodium salt;Glycine,N,N′-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-,tetrasodium salt;3H-2,1-Benzoxathiole,glycine deriv.
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CAS No:
Characteristics
247.89000
5.20
Dark green to reddish-brown Powder
1.4±0.1 g/cm3
891.6±65.0 °C at 760 mmHg
493.0±34.3 °C
1.636
soluble in water (460 g/L) at 20°C.
Store below +30°C.
3.9E-34mmHg at 25°C
Safety Information
NONH for all modes of transport
3
5-36/37/38
24/25-36-26-15
Xi
Stable. Incompatible with strong oxidizing agents.
Methylthymol Blue Use and Manufacturing
Metal titration indicator. Spectrophotometric determination of Al3+, Ca2+, Mg2+, Hf4+, NbO, Ti4+ and other color-developing agents, and complexometric titration of Zr4+, Bi3+, Mg2+, Sc3+, Cu2+ and other metal indicators.
Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4): ACTIVE
Computed Properties
Molecular Weight:844.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:12
Exact Mass:844.18418764
Monoisotopic Mass:844.18418764
Topological Polar Surface Area:259
Heavy Atom Count:57
Complexity:1300
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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