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Molecule record

methylene blue

C16H18ClN3S

319.90 g/mol

2D structure for methylene blue

Molecular properties

Formula
C16H18ClN3S
Molar mass
319.90 g·mol−1
Exact mass
319.0910 Da
9
0
4
43.90 Ų
CAS
61-73-4
PubChem CID
6099

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Amine
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 61-73-4
  • Basic blue 9
  • Bleu de methylene
  • C.I. Basic Blue 9
  • Calcozine Blue ZF
  • Chromosmon
  • External Blue 1
  • Methylene Blue A
Show all 23 synonyms
  • Methylene Blue B
  • Methylene Blue BB
  • Methylene Blue BD
  • Methylene Blue D
  • Methylene Blue G
  • Methylene Blue N
  • Methylene Blue anhydrous
  • Methylene Blue chloride
  • Methylenium ceruleum
  • Methylthionine chloride
  • Methylthioninium chloride
  • Solvent blue 8
  • Swiss Blue
  • Tetramethylene Blue
  • Urolene blue

Structure identifiers

Canonical SMILES
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]
Isomeric 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
InChIKey
CXKWCBBOMKCUKX-UHFFFAOYSA-M
PubChem CID
6099

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for methylene blue; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for methylene blue; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record