Research chemical
CAS Number: 5524-97-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
21695
Exact Mass
839.218068
InChIKey
XRNNJJPJEASNQS-UHFFFAOYSA-N
IUPAC Name
diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium;bis(2,4,6-trinitrophenolate)
SMILES String
CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)CC(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate is identified by CAS 5524-97-0, with molecular formula C35H37N9O14S, molecular weight 839.8, InChIKey XRNNJJPJEASNQS-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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
59
H-bond acceptors
23
H-bond donors
2
Rotatable bonds
15
Ring count
5
Aromatic rings
5
Topological polar surface area
329.07 Ų
Computed LogP
4.7
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
Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate (CAS 5524-97-0) is maintained as a commercial cas reference with formula C35H37N9O14S, molecular weight 839. 80 g/mol, PubChem CID 21695.
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.