Research chemical
CAS Number: 67923-45-9
![Thiocyanic acid, C,C'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene] ester molecular structure, CAS 67923-45-9](/structure-images/67923-45-9.png?v=struct-v3)
Product details
PubChem CID
106140
Exact Mass
656.061297
InChIKey
AXMXHZAKIVTXGG-UHFFFAOYSA-N
IUPAC Name
[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate
SMILES String
C1=CC(=CC(=C1)SC#N)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC=C9)SC#N)C2=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.
Thiocyanic acid, C,C'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene] ester is identified by CAS 67923-45-9, with molecular formula C38H16N4O4S2, molecular weight 656.7, InChIKey AXMXHZAKIVTXGG-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.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
48
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
4
Ring count
9
Aromatic rings
7
Topological polar surface area
122.34 Ų
Computed LogP
8.48
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
Thiocyanic acid, C,C'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene] ester (CAS 67923-45-9) is maintained as a commercial cas reference with formula C38H16N4O4S2, molecular weight 656.
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.