2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophene

• CAS: 365547-21-3
• Catalog Number: ACM365547213
• Category: Other Products
• Molecular Weight: 560.5g/mol
• Molecular Formula: C25H36Br2S2
• IUPAC Name: 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• Canonical SMILES: CCCCC(CC)CC1(C2=C(C3=C1C=C(S3)Br)SC(=C2)Br)CC(CC)CCCC
• InChI: InChI=1S/C25H36Br2S2/c1-5-9-11-17(7-3)15-25(16-18(8-4)12-10-6-2)19-13-21(26)28-23(19)24-20(25)14-22(27)29-24/h13-14,17-18H,5-12,15-16H2,1-4H3
• InChI Key: NEQRAFHWWLGKEJ-UHFFFAOYSA-N
• Density: 1.297
• Complexity: 455
• Covalently-Bonded Unit Count: 1
• Exact Mass: 560.06047g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 29
• Monoisotopic Mass: 558.06252g/mol
• Rotatable Bond Count: 12
• XLogP3: 12.9