Research chemical
CAS Number: 16661-24-8
![5-(5,6-Dihydrobenzo[b][1]benzothiepin-5-yloxy)-5,6-dihydrobenzo[b][1]benzothiepine molecular structure, CAS 16661-24-8](/structure-images/16661-24-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
611127
Exact Mass
438.111208
InChIKey
HCUKEBCEJKFZER-UHFFFAOYSA-N
SMILES String
c1ccc2c(c1)CC(OC1Cc3ccccc3Sc3ccccc31)c1ccccc1S2
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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-(5,6-Dihydrobenzo[b][1]benzothiepin-5-yloxy)-5,6-dihydrobenzo[b][1]benzothiepine is identified by CAS 16661-24-8, with molecular formula C28H22OS2, molecular weight 438.6, InChIKey HCUKEBCEJKFZER-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
31
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
2
Ring count
6
Aromatic rings
4
Topological polar surface area
9.23 Ų
Computed LogP
7.9
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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-(5,6-Dihydrobenzo[b][1]benzothiepin-5-yloxy)-5,6-dihydrobenzo[b][1]benzothiepine (CAS 16661-24-8) is maintained as a commercial cas reference with formula C28H22OS2, molecular weight 438. 60 g/mol, PubChem CID 611127.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.