Research chemical
CAS Number: 329779-48-8
![3-[(4-Bromophenyl)sulfanyl]-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-1-propanone molecular structure, CAS 329779-48-8](/structure-images/329779-48-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4622881
Exact Mass
459.98994
InChIKey
YDDKQAONJFLXBP-UHFFFAOYSA-N
IUPAC Name
3-(4-bromophenyl)sulfanyl-3-(4-chlorophenyl)-1-(4-methoxyphenyl)propan-1-one
SMILES String
COc1ccc(C(=O)CC(Sc2ccc(Br)cc2)c2ccc(Cl)cc2)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.
3-[(4-Bromophenyl)sulfanyl]-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-1-propanone is identified by CAS 329779-48-8, with molecular formula C22H18BrClO2S, molecular weight 461.8, InChIKey YDDKQAONJFLXBP-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
27
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
7
Ring count
3
Aromatic rings
3
Topological polar surface area
26.3 Ų
Computed LogP
7.22
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
3-[(4-Bromophenyl)sulfanyl]-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-1-propanone (CAS 329779-48-8) is maintained as a commercial cas reference with formula C22H18BrClO2S, molecular weight 461. 80 g/mol, PubChem CID 4622881.
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.
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.