1-chloro-4-({[(4-chlorophenyl)methyl]disulfanyl}methyl)benzene

• ChemBase ID: 82960
• Molecular Formular: C14H12Cl2S2
• Molecular Mass: 315.28108
• Monoisotopic Mass: 313.97574774
• SMILES: S(SCc1ccc(cc1)Cl)Cc1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)CSSCc1ccc(cc1)Cl
• InChI: InChI=1S/C14H12Cl2S2/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
• InChIKey: ANYQNNLRPAIVBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-({[(4-chlorophenyl)methyl]disulfanyl}methyl)benzene
• IUPAC Traditional name: 1-chloro-4-({[(4-chlorophenyl)methyl]disulfanyl}methyl)benzene
• Synonyms: di(4-chlorobenzyl) disulphide

Database IDs

• MDL Number: MFCD00053220
• PubChem SID: 162070079
• PubChem CID: 302765

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9556427
• LogD (pH = 7.4): 5.9556427
• Log P: 5.9556427
• Molar Refractivity: 85.9264 cm^3
• Polarizability: 33.48888 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false