Research chemical
CAS Number: 105176-22-5
![5-[3-Ethoxy-4-(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)but-2-en-1-ylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)methyl]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium iodide molecular structure, CAS 105176-22-5](/structure-images/105176-22-5.png?v=struct-v3)
Product details
PubChem CID
71317309
Exact Mass
805.13274
InChIKey
RRGPZNSNORJTEB-UHFFFAOYSA-M
IUPAC Name
5-[3-ethoxy-4-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one iodide
SMILES String
CCOC(=CC=C1SC(/C=C2\SC(c3ccccc3)=C(c3ccccc3)N2CC)=[N+](CC)C1=O)C=C1Sc2ccc(C)cc2N1CC.[I-]
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
5-[3-Ethoxy-4-(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)but-2-en-1-ylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)methyl]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium iodide is identified by CAS 105176-22-5, with molecular formula C39H40IN3O2S3, molecular weight 805.9, InChIKey RRGPZNSNORJTEB-UHFFFAOYSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
48
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
10
Ring count
6
Aromatic rings
3
Topological polar surface area
35.79 Ų
Computed LogP
6.72
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
90 g/mol, PubChem CID 71317309.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.