Research chemical
CAS Number: 670270-79-8
![4-Methyl-8-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yloxy}-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene molecular structure, CAS 670270-79-8](/structure-images/670270-79-8.png?v=struct-v3)
Product details
PubChem CID
2241179
Exact Mass
395.022076
InChIKey
PGRQAAJQULXJSC-UHFFFAOYSA-N
IUPAC Name
2-methyl-5-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)thieno[2,3-e][1,3]benzothiazole
SMILES String
Cc1nc2c(cc(Oc3ncnc4sc5c(c34)CCC5)c3ccsc32)s1
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.
4-Methyl-8-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yloxy}-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene is identified by CAS 670270-79-8, with molecular formula C19H13N3OS3, molecular weight 395.5, InChIKey PGRQAAJQULXJSC-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
26
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
2
Ring count
6
Aromatic rings
5
Topological polar surface area
47.9 Ų
Computed LogP
6.11
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
4-Methyl-8-{7-thia-9,11-diazatricyclo[6. 4. 0. 0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yloxy}-5,12-dithia-3-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.
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.