Research chemical
CAS Number: 68084-13-9
![1,3-Naphthalenedisulfonic acid, 7-[2-[4-[(sulfomethyl)amino]phenyl]diazenyl]-, sodium salt (1:3) molecular structure, CAS 68084-13-9](/structure-images/68084-13-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
106539
Exact Mass
566.942875
InChIKey
BUCCTKQQPWMCOW-UHFFFAOYSA-K
IUPAC Name
trisodium;7-[[4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate
SMILES String
C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
1,3-Naphthalenedisulfonic acid, 7-[2-[4-[(sulfomethyl)amino]phenyl]diazenyl]-, sodium salt (1:3) is identified by CAS 68084-13-9, with molecular formula C17H12N3Na3O9S3, molecular weight 567.5, InChIKey BUCCTKQQPWMCOW-UHFFFAOYSA-K.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
35
H-bond acceptors
12
H-bond donors
1
Rotatable bonds
7
Ring count
3
Aromatic rings
3
Topological polar surface area
208.35 Ų
Computed LogP
-7.01
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
1,3-Naphthalenedisulfonic acid, 7-[2-[4-[(sulfomethyl)amino]phenyl]diazenyl]-, sodium salt (1:3) (CAS 68084-13-9) is maintained as a commercial cas reference with formula C17H12N3Na3O9S3, molecular weight 567. 50 g/mol, PubChem CID 106539.
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.