CAS 444579-39-9 4,7-bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole

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Organic Light-Emitting Diode (OLED) Materials

4,7-bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole

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Catalog Number

ACM444579399

Product Name

4,7-bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole

CAS

444579-39-9

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

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

Molecular Weight

626.5g/mol

Molecular Formula

C26H30Br2N2S3

Canonical SMILES

CCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)Br

InChI

InChI=1S/C26H30Br2N2S3/c1-3-5-7-9-11-17-15-21(31-25(17)27)19-13-14-20(24-23(19)29-33-30-24)22-16-18(26(28)32-22)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3

InChI Key

NEMDYXXOEXNCJZ-UHFFFAOYSA-N

Complexity

538

Covalently-Bonded Unit Count

Exact Mass

625.99174g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

623.99379g/mol

Rotatable Bond Count

XLogP3

12.5

MSDS

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COA

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Spec Sheet

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