Chemical Compound

Methylthymol blue

CAS Registry Number 1945-77-3

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Methylthymol blue chemical structure

Primary Record

Methylthymol blue

In stock: 8,362 g
Purity: 99.0 %
CAS: 1945-77-3

Compound Identifiers & Properties

CAS: 1945-77-3
PubChem CID: 171042186
SMILES: CC\1C(C(=O)C(C/C1=C(/C2=CC=CC=C2S(=O)(=O)[O-])\C3=C(C(=C(C(=C3)C(C)C)O)CN(CC(=O)O)CC(=O)[O-])C)C(C)C)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Canonical SMILES: Cc1c(/C(=C2\CC(C(C)C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])C2C)c2ccccc2S(=O)(=O)[O-])cc(C(C)C)c(O)c1CN(CC(=O)[O-])CC(=O)O.[Na+].[Na+].[Na+].[Na+]

Names & Synonyms

Methylthymol blue
1945-77-3