Research chemical
CAS Number: 1706459-42-8
![(S)-4-Hydroxy-2,6-bis(4-nitrophenyl)dinaphtho-[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-sulfide molecular structure, CAS 1706459-42-8](/structure-images/1706459-42-8.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
99771096
Exact Mass
606.065059
InChIKey
MZEZBGUBZWJVKJ-UHFFFAOYSA-N
IUPAC Name
13-hydroxy-10,16-bis(4-nitrophenyl)-13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILES String
O=[N+]([O-])c1ccc(-c2cc3ccccc3c3c2OP(O)(=S)Oc2c(-c4ccc([N+](=O)[O-])cc4)cc4ccccc4c2-3)cc1
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.
(S)-4-Hydroxy-2,6-bis(4-nitrophenyl)dinaphtho-[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-sulfide is identified by CAS 1706459-42-8, with molecular formula C32H19N2O7PS, molecular weight 606.5, InChIKey MZEZBGUBZWJVKJ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
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
43
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
4
Ring count
7
Aromatic rings
6
Topological polar surface area
124.97 Ų
Computed LogP
8.8
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
(S)-4-Hydroxy-2,6-bis(4-nitrophenyl)dinaphtho-[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-sulfide (CAS 1706459-42-8) is maintained as a commercial cas reference with formula C32H19N2O7PS, molecular weight 606. 50 g/mol, PubChem CID 99771096.
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, phosphine-ligand motif.
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.