Research chemical
CAS Number: 53852-98-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2852218
Exact Mass
346.139136
InChIKey
QHPDJMDQOBGJLB-UHFFFAOYSA-N
IUPAC Name
7,7-dimethyl-2,4-diphenyl-6,8-dihydro-4H-thiochromen-5-one
SMILES String
CC1(C)CC(=O)C2=C(C1)SC(c1ccccc1)=CC2c1ccccc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one is identified by CAS 53852-98-5, with molecular formula C23H22OS, molecular weight 346.5, InChIKey QHPDJMDQOBGJLB-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
25
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
2
Ring count
4
Aromatic rings
2
Topological polar surface area
17.07 Ų
Computed LogP
6.2
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
7,7-dimethyl-2,4-diphenyl-4,6,7,8-tetrahydro-5H-thiochromen-5-one (CAS 53852-98-5) is maintained as a commercial cas reference with formula C23H22OS, molecular weight 346. 50 g/mol, PubChem CID 2852218.
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.
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