Methylene Blue

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 501
Total Number of Articles : 881
PubChem 6099
Molecular Formula

C16H18ClN3S

SMILES

CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]

InChI

InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1

synonyms
  • methylene blue
  • 61-73-4
  • Basic blue 9
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Properties
Property Value
MW 319.9 g/mol
HBD 0
HBA 4
Rotatable Bond Count 1
Exact Mass 319.0909965 g/mol
Monoisotopic Mass 319.0909965 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 483
xlogp None
Topological Polar Surface Area 43.9