4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole

Name: 4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole
SKU: ACM457931236
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Catalog NumberACM457931236

CAS Number457931-23-6

CategoryPolymers; Semiconductor Blocks

IUPAC Name

4,7-bis(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazole

Molecular Weight

682.64

Molecular Formula

C30H38Br2N2S3

Canonical SMILES

CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCC)Br

InChI

InChI=1S/C30H38Br2N2S3/c1-3-5-7-9-11-13-15-21-19-25(35-29(21)31)23-17-18-24(28-27(23)33-37-34-28)26-20-22(30(32)36-26)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3

InChI Key

AMYLTENEOQNKGO-UHFFFAOYSA-N

Purity

>97.0%(HPLC)

Appearance

Light yellow to Amber to Dark green powder to crystal

Complexity

592

Covalently-Bonded Unit Count

Exact Mass

682.05434g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

680.05639g/mol

Rotatable Bond Count

XLogP3

14.6

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