1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene

• ChemBase ID: 82113
• Molecular Formular: C12H6Cl4S2
• Molecular Mass: 356.11804
• Monoisotopic Mass: 353.86650291
• SMILES: S(c1cc(c(cc1)Cl)Cl)Sc1cc(c(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1Cl)SSc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C12H6Cl4S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H
• InChIKey: HQZNUGISESNNMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene
• IUPAC Traditional name: 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene
• Synonyms: di(3,4-dichlorophenyl) disulphide

Database IDs

• MDL Number: MFCD00830750
• PubChem SID: 162069232
• PubChem CID: 601060

CALCULATED PROPERTIES

• Polarizability: 33.617252 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9899235
• LogD (pH = 7.4): 6.9899235
• Log P: 6.9899235
• Molar Refractivity: 81.6794 cm^3