Research chemical
CAS Number: 113546-64-8
![1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- molecular structure, CAS 113546-64-8](/structure-images/113546-64-8.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
658327
Exact Mass
287.072848
InChIKey
CLJVWENMJSPRNG-UHFFFAOYSA-N
IUPAC Name
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILES String
Cc1cc(C)n(C(=O)CSc2nc3ccccc3o2)n1
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.
1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- is identified by CAS 113546-64-8, with molecular formula C14H13N3O2S, molecular weight 287.34, InChIKey CLJVWENMJSPRNG-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
20
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
3
Ring count
3
Aromatic rings
3
Topological polar surface area
60.92 Ų
Computed LogP
3.07
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
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- (CAS 113546-64-8) is maintained as a commercial cas reference with formula C14H13N3O2S, molecular weight 287. 34 g/mol, PubChem CID 658327.
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; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
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.