1-iodo-2-[(2-iodophenyl)disulfanyl]benzene

• ChemBase ID: 83320
• Molecular Formular: C12H8I2S2
• Molecular Mass: 470.13086
• Monoisotopic Mass: 469.81568826
• SMILES: S(c1c(cccc1)I)Sc1c(cccc1)I
• Canonical SMILES: Ic1ccccc1SSc1ccccc1I
• InChI: InChI=1S/C12H8I2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H
• InChIKey: XKXXKCBAWRUHRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-2-[(2-iodophenyl)disulfanyl]benzene
• IUPAC Traditional name: 1-iodo-2-[(2-iodophenyl)disulfanyl]benzene
• Synonyms: di(2-iodophenyl) disulphide

Database IDs

• MDL Number: MFCD00099178
• PubChem SID: 162070439
• PubChem CID: 385952

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.431634
• LogD (pH = 7.4): 6.431634
• Log P: 6.431634
• Molar Refractivity: 89.1852 cm^3
• Polarizability: 36.29716 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false