1,3-dichloro-2-({[(2,6-dichlorophenyl)methyl]disulfanyl}methyl)benzene

• ChemBase ID: 84417
• Molecular Formular: C14H10Cl4S2
• Molecular Mass: 384.1712
• Monoisotopic Mass: 381.89780304
• SMILES: S(SCc1c(cccc1Cl)Cl)Cc1c(cccc1Cl)Cl
• Canonical SMILES: Clc1cccc(c1CSSCc1c(Cl)cccc1Cl)Cl
• InChI: InChI=1S/C14H10Cl4S2/c15-11-3-1-4-12(16)9(11)7-19-20-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2
• InChIKey: CDRVOBHPRUVIJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dichloro-2-({[(2,6-dichlorophenyl)methyl]disulfanyl}methyl)benzene
• IUPAC Traditional name: 1,3-dichloro-2-({[(2,6-dichlorophenyl)methyl]disulfanyl}methyl)benzene
• Synonyms: di(2,6-dichlorobenzyl) disulphide

Database IDs

• MDL Number: MFCD00125236
• PubChem SID: 162071533
• PubChem CID: 2782072

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.163732
• LogD (pH = 7.4): 7.163732
• Log P: 7.163732
• Molar Refractivity: 95.536 cm^3
• Polarizability: 37.289352 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false