Research chemical
CAS Number: 20328-87-4
![Thiazolium, 2,2'-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[3-ethyl-4,5-dihydro-, iodide (1:2) molecular structure, CAS 20328-87-4](/structure-images/20328-87-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
89319
Exact Mass
685.97431
InChIKey
VBICKBHSMQKWCS-UHFFFAOYSA-N
IUPAC Name
2,5-bis[2-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenylamino]benzoic acid diiodide
SMILES String
CC[N+]1=C(SCC1)C=CNC2=CC(=C(C=C2)NC=CC3=[N+](CCS3)CC)C(=O)O.[I-].[I-]
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.
Thiazolium, 2,2'-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[3-ethyl-4,5-dihydro-, iodide (1:2) is identified by CAS 20328-87-4, with molecular formula C21H28I2N4O2S2, molecular weight 686.4, InChIKey VBICKBHSMQKWCS-UHFFFAOYSA-N.
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Heavy atom count
31
H-bond acceptors
6
H-bond donors
3
Rotatable bonds
9
Ring count
3
Aromatic rings
1
Topological polar surface area
67.38 Ų
Computed LogP
-2.4
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
Thiazolium, 2,2'-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[3-ethyl-4,5-dihydro-, iodide (1:2) (CAS 20328-87-4) is maintained as a commercial cas reference with formula C21H28I2N4O2S2, molecular weight 686. 40 g/mol, PubChem CID 89319.
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.