Research chemical
CAS Number: 60404-77-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
108452
Exact Mass
528.062085
InChIKey
JUWGXBPEPFJOSG-UHFFFAOYSA-N
IUPAC Name
4-[3-[5-carboxy-2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrazole-3-carboxylic acid
SMILES String
C1CS(=O)(=O)CC1N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C(=NN(C3=O)C4CCS(=O)(=O)C4)C(=O)O
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-(3-(3-carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylic acid S,S,S',S'-tetraoxide is identified by CAS 60404-77-5, with molecular formula C19H20N4O10S2, molecular weight 528.5, InChIKey JUWGXBPEPFJOSG-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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Ordering
Quote required
Pricing and stock are confirmed on request.
Send the quantity and destination for a current sourcing check.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
35
H-bond acceptors
14
H-bond donors
3
Rotatable bonds
6
Ring count
4
Aromatic rings
1
Topological polar surface area
213.34 Ų
Computed LogP
-1.36
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
50 g/mol, PubChem CID 108452.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.