1-(bromomethyl)-2-{[2-(bromomethyl)phenyl]sulfanyl}benzene

• ChemBase ID: 79785
• Molecular Formular: C14H12Br2S
• Molecular Mass: 372.11808
• Monoisotopic Mass: 369.90264538
• SMILES: S(c1ccccc1CBr)c1c(cccc1)CBr
• Canonical SMILES: BrCc1ccccc1Sc1ccccc1CBr
• InChI: InChI=1S/C14H12Br2S/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8H,9-10H2
• InChIKey: NZFVHTDPGHVCOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2-{[2-(bromomethyl)phenyl]sulfanyl}benzene
• IUPAC Traditional name: 1-(bromomethyl)-2-{[2-(bromomethyl)phenyl]sulfanyl}benzene
• Synonyms: 1-(bromomethyl)-2-{[2-(bromomethyl)phenyl]thio}benzene

Database IDs

• MDL Number: MFCD00204528
• PubChem SID: 162044548
• PubChem CID: 2775465

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.70747
• LogD (pH = 7.4): 5.70747
• Log P: 5.70747
• Molar Refractivity: 84.4429 cm^3
• Polarizability: 31.957352 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false