2,5-dibromothieno[3,2-b]thiophene

• ChemBase ID: 64742
• Molecular Formular: C6H2Br2S2
• Molecular Mass: 298.01808
• Monoisotopic Mass: 295.79646606
• SMILES: c12c(cc(s2)Br)sc(c1)Br
• Canonical SMILES: Brc1cc2c(s1)cc(s2)Br
• InChI: InChI=1S/C6H2Br2S2/c7-5-1-3-4(10-5)2-6(8)9-3/h1-2H
• InChIKey: APDAUBNBDJUQGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromothieno[3,2-b]thiophene
• IUPAC Traditional name: 2,5-dibromothieno[3,2-b]thiophene
• Synonyms: 2,5-Dibromothieno[3,2-b]thiophene

Database IDs

• CAS Number: 25121-87-3
• MDL Number: MFCD03931293
• PubChem SID: 162030481
• PubChem CID: 3597455

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6053157
• LogD (pH = 7.4): 4.6053157
• Log P: 4.6053157
• Molar Refractivity: 49.8534 cm^3
• Polarizability: 21.142971 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-129°C

Safety Information

• Storage Warning: Harmful/Stench/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%