Research chemical
CAS Number: 439111-35-0
![4-Chlorobenzyl 7,9-dimethyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide molecular structure, CAS 439111-35-0](/structure-images/439111-35-0.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4253622
Exact Mass
561.038173
InChIKey
QROMBZXVGBDCSH-UHFFFAOYSA-N
IUPAC Name
4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILES String
Cc1cc(C)c2c(n1)sc1c(SCc3cccc(C(F)(F)F)c3)nc(SCc3ccc(Cl)cc3)nc12
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.
4-Chlorobenzyl 7,9-dimethyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide is identified by CAS 439111-35-0, with molecular formula C26H19ClF3N3S3, molecular weight 562.1, InChIKey QROMBZXVGBDCSH-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
36
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
6
Ring count
5
Aromatic rings
5
Topological polar surface area
38.67 Ų
Computed LogP
9.11
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-Chlorobenzyl 7,9-dimethyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide (CAS 439111-35-0) is maintained as a commercial cas reference with formula C26H19ClF3N3S3, molecular weight 562.
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.