Research chemical
CAS Number: 2433725-51-8
![5,8-Bis(5-bromo-4-(2-butyloctyl)thiophen-2-yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazole molecular structure, CAS 2433725-51-8](/structure-images/2433725-51-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
154729522
Exact Mass
906.12368
InChIKey
LRYLVBFSNDXVDD-UHFFFAOYSA-N
IUPAC Name
9,14-bis[5-bromo-4-(2-butyloctyl)thiophen-2-yl]-4,10,13-trithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaene
SMILES String
CCCCCCC(CCCC)Cc1cc(-c2cc3c4nsnc4c4cc(-c5cc(CC(CCCC)CCCCCC)c(Br)s5)sc4c3s2)sc1Br
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
5,8-Bis(5-bromo-4-(2-butyloctyl)thiophen-2-yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazole is identified by CAS 2433725-51-8, with molecular formula C42H54Br2N2S5, molecular weight 907, InChIKey LRYLVBFSNDXVDD-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
51
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
22
Ring count
6
Aromatic rings
6
Topological polar surface area
25.78 Ų
Computed LogP
17.74
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
5,8-Bis(5-bromo-4-(2-butyloctyl)thiophen-2-yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazole (CAS 2433725-51-8) is maintained as a commercial cas reference with formula C42H54Br2N2S5, molecular weight 907. 00 g/mol, PubChem CID 154729522.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.