Research chemical
CAS Number: 79054-95-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
15208429
Exact Mass
622.158336
InChIKey
DIOIGSXFDRDOOB-UHFFFAOYSA-N
IUPAC Name
4-[(E)-3-(2,6-diphenylthiopyran-4-ylidene)prop-1-enyl]-2,6-diphenylthiopyrylium tetrafluoroborate
SMILES String
C(/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1.F[B-](F)(F)F
No physical property values available.
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.
(E)-4-(3-(2,6-diphenyl-4H-thiopyran-4-ylidene)prop-1-en-1-yl)-2,6-diphenylthiopyrylium tetrafluoroborate is identified by CAS 79054-95-8, with molecular formula C37H27BF4S2, molecular weight 622.5, InChIKey DIOIGSXFDRDOOB-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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
44
H-bond acceptors
0
H-bond donors
0
Rotatable bonds
6
Ring count
6
Aromatic rings
5
Topological polar surface area
0 Ų
Computed LogP
12.43
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
boronic acid or boronate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(E)-4-(3-(2,6-diphenyl-4H-thiopyran-4-ylidene)prop-1-en-1-yl)-2,6-diphenylthiopyrylium tetrafluoroborate (CAS 79054-95-8) is maintained as a commercial cas reference with formula C37H27BF4S2, molecular weight 622. 50 g/mol, PubChem CID 15208429.
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 boronic-acid-related structure.
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.