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

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Catalog Number

ACM365547213

Product Name

Structure

CAS

365547-21-3

Category

Heterocyclic Organic Compound

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

Molecular Weight

560.5g/mol

Molecular Formula

C25H36Br2S2

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

Exact Mass

560.06047g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

558.06252g/mol

Rotatable Bond Count

XLogP3

12.9

MSDS

COA

Spec Sheet

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