5,5-Dibromo-4,4-didodecyl-2,2-bithiophene

• CAS: 753470-95-0
• Catalog Number: ACM753470950
• Category: Organic & Printed Electronics
• Molecular Weight: 660.7g/mol
• Molecular Formula: C32H52Br2S2
• Synonyms: 5,5-dibroMo-4,4-didodecyl-2,2-bithiophene
• IUPAC Name: 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene
• Canonical SMILES: CCCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)Br)CCCCCCCCCCCC)Br
• InChI: InChI=1S/C32H52Br2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-29(35-31(27)33)30-26-28(32(34)36-30)24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
• InChI Key: HTSYYLNTMSXYHZ-UHFFFAOYSA-N
• Complexity: 459
• Covalently-Bonded Unit Count: 1
• Exact Mass: 660.18567g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 36
• Monoisotopic Mass: 658.18772g/mol
• Rotatable Bond Count: 23
• XLogP3: 17.5

Custom Q&A

What is the molecular formula of 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene?

The molecular formula is C32H52Br2S2.

What is the molecular weight of 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene?

The molecular weight is 660.7 g/mol.

What is the IUPAC name of 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene?

The IUPAC name is 2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene.

What is the InChI of 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene?

The InChI is InChI=1S/C32H52Br2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-29(35-31(27)33)30-26-28(32(34)36-30)24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3.

What is the InChIKey of 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene?

The InChIKey is HTSYYLNTMSXYHZ-UHFFFAOYSA-N.

What is the canonical SMILES of 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene?

The canonical SMILES is CCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)Br)CCCCCCCCCCCC)Br.

What is the CAS number of 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene?

The CAS number is 753470-95-0.

What is the XLogP3-AA value of 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene?

The XLogP3-AA value is 17.5.

Is 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene a canonicalized compound?

Yes, 5,5-Dibromo-4,4-didodecyl-2,2-bithiophene is a canonicalized compound.