3,6-dibromothieno[3,2-b]thiophene

• ChemBase ID: 288813
• Molecular Formular: C6H2Br2S2
• Molecular Mass: 298.01808
• Monoisotopic Mass: 295.79646606
• SMILES: Brc1csc2c1scc2Br
• Canonical SMILES: Brc1csc2c1scc2Br
• InChI: InChI=1S/C6H2Br2S2/c7-3-1-9-6-4(8)2-10-5(3)6/h1-2H
• InChIKey: DFMPVYZMICAYCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromothieno[3,2-b]thiophene
• IUPAC Traditional name: 3,6-dibromothieno[3,2-b]thiophene
• Synonyms: 3,6-Dibromothieno[3,2-b]thiophene

Database IDs

• CAS Number: 392662-65-6
• MDL Number: MFCD10000958
• PubChem SID: 180674344
• PubChem CID: 10613979

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.273324
• LogD (pH = 7.4): 4.273324
• Log P: 4.273324
• Molar Refractivity: 51.5336 cm^3
• Polarizability: 21.095457 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%