Research chemical
CAS Number: 380340-73-8
![3-(5-Chloropyridin-2-yl)-2-[[3-(5-chloropyridin-2-yl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one molecular structure, CAS 380340-73-8](/structure-images/380340-73-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4108428
Exact Mass
710.022064
InChIKey
NJLFNHSWYSRJMK-UHFFFAOYSA-N
IUPAC Name
3-(5-chloro-2-pyridinyl)-2-[[3-(5-chloro-2-pyridinyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES String
O=c1c2c3c(sc2nc(SCSc2nc4sc5c(c4c(=O)n2-c2ccc(Cl)cn2)CCCC5)n1-c1ccc(Cl)cn1)CCCC3
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
3-(5-Chloropyridin-2-yl)-2-[[3-(5-chloropyridin-2-yl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is identified by CAS 380340-73-8, with molecular formula C31H24Cl2N6O2S4, molecular weight 711.7, InChIKey NJLFNHSWYSRJMK-UHFFFAOYSA-N.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
45
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
6
Ring count
8
Aromatic rings
6
Topological polar surface area
95.56 Ų
Computed LogP
7.9
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
70 g/mol, PubChem CID 4108428.
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.
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