Research chemical
CAS Number: 68133-33-5
![Ethanesulfonic acid, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl)]bis-, disodium salt molecular structure, CAS 68133-33-5](/structure-images/68133-33-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
109532
Exact Mass
596.005819
InChIKey
ZHSMSCHKPOZRCJ-UHFFFAOYSA-L
IUPAC Name
disodium;2-[[2-chloro-4-[3-chloro-4-[methyl-(2-sulfonatoethyldiazenyl)amino]phenyl]-N-methylanilino]diazenyl]ethanesulfonate
SMILES String
CN(C1=C(C=C(C=C1)C2=CC(=C(C=C2)N(C)N=NCCS(=O)(=O)[O-])Cl)Cl)N=NCCS(=O)(=O)[O-].[Na+].[Na+]
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.
Ethanesulfonic acid, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl)]bis-, disodium salt is identified by CAS 68133-33-5, with molecular formula C18H20Cl2N6Na2O6S2, molecular weight 597.4, InChIKey ZHSMSCHKPOZRCJ-UHFFFAOYSA-L.
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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
36
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
11
Ring count
2
Aromatic rings
2
Topological polar surface area
170.32 Ų
Computed LogP
-2.63
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
Ethanesulfonic acid, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl)]bis-, disodium salt (CAS 68133-33-5) is maintained as a commercial cas reference with formula C18H20Cl2N6Na2O6S2, molecular weight 597.
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.