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

• ChemBase ID: 86246
• Molecular Formular: C12H6Cl4S2
• Molecular Mass: 356.11804
• Monoisotopic Mass: 353.86650291
• SMILES: S(c1c(c(ccc1)Cl)Cl)Sc1c(c(ccc1)Cl)Cl
• Canonical SMILES: Clc1c(SSc2cccc(c2Cl)Cl)cccc1Cl
• InChI: InChI=1S/C12H6Cl4S2/c13-7-3-1-5-9(11(7)15)17-18-10-6-2-4-8(14)12(10)16/h1-6H
• InChIKey: YMSJJKQJRQITBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00817011
• PubChem SID: 162073362
• PubChem CID: 458348

CALCULATED PROPERTIES

• 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
• Polarizability: 33.64963 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false