Research chemical
CAS Number: 1469753-39-6
![3-Mesityl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium chloride molecular structure, CAS 1469753-39-6](/structure-images/1469753-39-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
90008952
Exact Mass
307.11614
InChIKey
WUNHRUHQQKKPHE-UHFFFAOYSA-M
IUPAC Name
3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium chloride
SMILES String
CC1=C([N+]2=CSC3=C2CCCCC3)C(C)=CC(C)=C1.[Cl-]
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.
3-Mesityl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium chloride is identified by CAS 1469753-39-6, with molecular formula C17H22ClNS, molecular weight 307.88, InChIKey WUNHRUHQQKKPHE-UHFFFAOYSA-M.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
20
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
3.88 Ų
Computed LogP
1.22
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
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
Research Catalog Compound - N-Heterocycle Ligand (CAS 1469753-39-6) is listed for N-heterocycle ligand sourcing for coordination chemistry research.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: heteroaryl ligand or chelator screening with supplier documentation review, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestNon-public references are shown as text only and do not imply equivalence, availability, or shared use.