Chemical Properties
Properties
Molecular Formula
C_{16}H_{18}ClN_{3}S
Molecular Weight
319.9
Monoisotopic Mass
319.0909965
Polar Area
43.9
Complexity
483
Heavy Atom Count
21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
PubChem LCSS
Methylene Blue Laboratory Chemical Safety Summary

2D Structure
Identifiers
CID
6099
InChI
InChI=1SC16H18N3S.ClHc1-18(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
InChIKey
CXKWCBBOMKCUKX-UHFFFAOYSA-M
Isometric SMILES
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]
Canonical SMILES
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]
IUPAC Name
[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride


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