Toluidine Blue O | SBID = 182 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 66.7
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C15H16ClN3S
M / g/mol: 305.824
Complexity: 512.0
Number of Conformers: 0.0

Identifiers

  • Tags: aromatic, typical guest, dye, charged
  • Name: Toluidine Blue O
  • Preferred Abbreviation: Toluidine Blue
  • IUPAC Name: (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;chloride
  • CAS: 92-31-9
  • CID: 7083
  • InChiKey: GEDVVYWLPUPJJZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C15H15N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8,16H,1-3H3;1H
  • CanoSmiles: CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.[Cl-]
  • IsoSmiles: CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.[Cl-]