CAS 1334686-71-3 4,7-Bis(5-bromo-2-thienyl)-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole

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Self-Assembly Materials

4,7-Bis(5-bromo-2-thienyl)-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole

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Catalog Number

ACM1334686713

Product Name

4,7-Bis(5-bromo-2-thienyl)-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole

CAS

1334686-71-3

Category

Self-Assembly Materials

IUPAC Name

4,7-bis(5-bromothiophen-2-yl)-5,6-didodecoxy-2,1,3-benzothiadiazole

Molecular Weight

826.9g/mol

Molecular Formula

C38H54Br2N2O2S3

Canonical SMILES

CCCCCCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br

InChI

InChI=1S/C38H54Br2N2O2S3/c1-3-5-7-9-11-13-15-17-19-21-27-43-37-33(29-23-25-31(39)45-29)35-36(42-47-41-35)34(30-24-26-32(40)46-30)38(37)44-28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28H2,1-2H3

InChI Key

MMCQXCRWMJXWLQ-UHFFFAOYSA-N

Complexity

742

Covalently-Bonded Unit Count

Exact Mass

826.16937g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

824.17142g/mol

Rotatable Bond Count