Research chemical
CAS Number: 2088628-64-0
![3-Ethyl-5-[[4-[2-[7-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2,1,3-benzothiadiazol-4-yl]-6,6,12,12-tetraoctylindeno[1,2-b]fluoren-8-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one molecular structure, CAS 2088628-64-0](/structure-images/2088628-64-0.png?v=struct-v3)
Product details
PubChem CID
139034906
Exact Mass
1312.560603
InChIKey
MKBCHTHJCDUCOI-UHFFFAOYSA-N
SMILES String
CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C=C4SC(=S)N(CC)C4=O)c4nsnc34)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C=C4SC(=S)N(CC)C4=O)c4nsnc24)cc1C3(CCCCCCCC)CCCCCCCC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
3-Ethyl-5-[[4-[2-[7-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2,1,3-benzothiadiazol-4-yl]-6,6,12,12-tetraoctylindeno[1,2-b]fluoren-8-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is identified by CAS 2088628-64-0, with molecular formula C76H92N6O2S6, molecular weight 1314, InChIKey MKBCHTHJCDUCOI-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
For laboratory research and professional procurement workflows.
Heavy atom count
90
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
34
Ring count
11
Aromatic rings
7
Topological polar surface area
92.18 Ų
Computed LogP
23.01
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
00 g/mol, PubChem CID 139034906.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.