methyl viologen diiodide | SBID = 1422 | Compound | Custom Molecule

Molecular Properties

Interactions: 13
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H14I2N2
M / g/mol: 440.0619
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye, paraquat diiodide, herbicide, typical guest, charged
  • Name: methyl viologen diiodide
  • Preferred Abbreviation: MVI2
  • IUPAC Name:
  • CAS:
  • CID: -526
  • InChiKey: JZLZVBMQJMQNJU-UHFFFAOYSA-L
  • InChi: InChI=1S/C12H14N2.2HI/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
  • CanoSmiles: C[n+]1ccc(cc1)c1cc[n+](cc1)C.[I-].[I-]
  • IsoSmiles: C[N+]1=CC=C(C2=CC=[N+](C)C=C2)C=C1.[I-].[I-]