Research chemical
CAS Number: 862976-81-6
![N-[11-(methylsulfanyl)-3,12-dithia-5,10-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,10-pentaen-4-yl]-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-amine molecular structure, CAS 862976-81-6](/structure-images/862976-81-6.png?v=struct-v3)
Product details
PubChem CID
16814110
Exact Mass
429.96866
InChIKey
OPQKSWIUZBFQBW-UHFFFAOYSA-N
IUPAC Name
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILES String
CSc1nc2ccc3nc(Nc4nc5cc6c(cc5s4)OCO6)sc3c2s1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N-[11-(methylsulfanyl)-3,12-dithia-5,10-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,10-pentaen-4-yl]-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-amine is identified by CAS 862976-81-6, with molecular formula C17H10N4O2S4, molecular weight 430.6, InChIKey OPQKSWIUZBFQBW-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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For laboratory research and professional procurement workflows.
Heavy atom count
27
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
3
Ring count
6
Aromatic rings
5
Topological polar surface area
69.16 Ų
Computed LogP
5.71
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
N-[11-(methylsulfanyl)-3,12-dithia-5,10-diazatricyclo[7. 3. 0. 0^{2,6}]dodeca-1(9),2(6),4,7,10-pentaen-4-yl]-4,6-dioxa-10-thia-12-azatricyclo[7. 3. 0.
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, drug-like rule profile.
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.