Research chemical
CAS Number: 182196-68-5
![Methanone, bis[4-[[4-(phenylthio)phenyl]ethynyl]phenyl]- molecular structure, CAS 182196-68-5](/structure-images/182196-68-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4282220
Exact Mass
598.142508
InChIKey
APKRFDAAQZYADH-UHFFFAOYSA-N
IUPAC Name
bis[4-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]methanone
SMILES String
O=C(c1ccc(C#Cc2ccc(Sc3ccccc3)cc2)cc1)c1ccc(C#Cc2ccc(Sc3ccccc3)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.
Methanone, bis[4-[[4-(phenylthio)phenyl]ethynyl]phenyl]- is identified by CAS 182196-68-5, with molecular formula C41H26OS2, molecular weight 598.8, InChIKey APKRFDAAQZYADH-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
44
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
6
Ring count
6
Aromatic rings
6
Topological polar surface area
17.07 Ų
Computed LogP
10.02
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
Methanone, bis[4-[[4-(phenylthio)phenyl]ethynyl]phenyl]- (CAS 182196-68-5) is maintained as a commercial cas reference with formula C41H26OS2, molecular weight 598. 80 g/mol, PubChem CID 4282220.
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.