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: 156588404
SMILES: CC1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)O)CC(=O)O)C.[Na]
Canonical SMILES: Cc1c(C2(c3cc(C(C)C)c(O)c(CN(CC(=O)O)CC(=O)O)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O.[Na]

Names & Synonyms

Methylthymol blue
Methylthymol Blue sodium salt
1945-77-3