Research chemical
CAS Number: 1005206-26-7
![[4-[(2-Cyanobenzyl)thio]phenyl]boronic acid molecular structure, CAS 1005206-26-7](/structure-images/1005206-26-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
68663291
Exact Mass
269.06818
InChIKey
XBRZANREDPJZQD-UHFFFAOYSA-N
IUPAC Name
[4-[(2-cyanophenyl)methylsulfanyl]phenyl]boronic acid
SMILES String
N#Cc1ccccc1CSc1ccc(B(O)O)cc1
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.
[4-[(2-Cyanobenzyl)thio]phenyl]boronic acid is identified by CAS 1005206-26-7, with molecular formula C14H12BNO2S, molecular weight 269.1, InChIKey XBRZANREDPJZQD-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
19
H-bond acceptors
3
H-bond donors
2
Rotatable bonds
4
Ring count
2
Aromatic rings
2
Topological polar surface area
64.25 Ų
Computed LogP
1.53
Fragment-like structure rule
Yes
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
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
[4-[(2-Cyanobenzyl)thio]phenyl]boronic acid (CAS 1005206-26-7) is an English MolGraph catalog reference, molecular formula C14H12BNO2S and molecular weight 269. 10 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for boronic acid and ester chemistry, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.