Research chemical
CAS Number: 453515-20-3
![2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide molecular structure, CAS 453515-20-3](/structure-images/453515-20-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2162588
Exact Mass
440.003131
InChIKey
VQFUPVQKYWKFCK-UHFFFAOYSA-N
SMILES String
Cn1cnnc1SCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
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.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide is identified by CAS 453515-20-3, with molecular formula C14H12N6O5S3, molecular weight 440.5, InChIKey VQFUPVQKYWKFCK-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
28
H-bond acceptors
11
H-bond donors
1
Rotatable bonds
7
Ring count
3
Aromatic rings
3
Topological polar surface area
149.98 Ų
Computed LogP
1.74
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide (CAS 453515-20-3) is maintained as a commercial cas reference with formula C14H12N6O5S3, molecular weight 440. 50 g/mol, PubChem CID 2162588.
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.
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.