1,2,4,5-tetrachloro-3-[(2,3,5,6-tetrachlorophenyl)disulfanyl]benzene

• ChemBase ID: 82845
• Molecular Formular: C12H2Cl8S2
• Molecular Mass: 493.89828
• Monoisotopic Mass: 489.7106135
• SMILES: S(c1c(c(cc(c1Cl)Cl)Cl)Cl)Sc1c(c(cc(c1Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1c(Cl)cc(c(c1SSc1c(Cl)c(Cl)cc(c1Cl)Cl)Cl)Cl
• InChI: InChI=1S/C12H2Cl8S2/c13-3-1-4(14)8(18)11(7(3)17)21-22-12-9(19)5(15)2-6(16)10(12)20/h1-2H
• InChIKey: ZNTWBKFKQSOEPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetrachloro-3-[(2,3,5,6-tetrachlorophenyl)disulfanyl]benzene
• IUPAC Traditional name: 1,2,4,5-tetrachloro-3-[(2,3,5,6-tetrachlorophenyl)disulfanyl]benzene
• Synonyms: di(2,3,5,6-tetrachlorophenyl) disulphide

Database IDs

• MDL Number: MFCD00174227
• PubChem SID: 162069964
• PubChem CID: 2779181

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.406102
• LogD (pH = 7.4): 9.406102
• Log P: 9.406102
• Molar Refractivity: 100.8986 cm^3
• Polarizability: 41.541004 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false