Research chemical
CAS Number: 844465-09-4
![5-Hydroxy-7,8-dimethyl-4-[4-(propan-2-yl)phenyl]naphtho[2,1-d][1,3]oxathiol-2-one molecular structure, CAS 844465-09-4](/structure-images/844465-09-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2001793
Exact Mass
364.113316
InChIKey
RAFAKQDYNKRLSJ-UHFFFAOYSA-N
IUPAC Name
5-hydroxy-7,8-dimethyl-4-(4-propan-2-ylphenyl)benzo[g][1,3]benzoxathiol-2-one
SMILES String
Cc1cc2c(O)c(-c3ccc(C(C)C)cc3)c3sc(=O)oc3c2cc1C
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.
5-Hydroxy-7,8-dimethyl-4-[4-(propan-2-yl)phenyl]naphtho[2,1-d][1,3]oxathiol-2-one is identified by CAS 844465-09-4, with molecular formula C22H20O3S, molecular weight 364.5, InChIKey RAFAKQDYNKRLSJ-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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
26
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
2
Ring count
4
Aromatic rings
4
Topological polar surface area
50.44 Ų
Computed LogP
6.12
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
5-Hydroxy-7,8-dimethyl-4-[4-(propan-2-yl)phenyl]naphtho[2,1-d][1,3]oxathiol-2-one (CAS 844465-09-4) is maintained as a commercial cas reference with formula C22H20O3S, molecular weight 364. 50 g/mol, PubChem CID 2001793.
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.