Research chemical
[4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile
CAS Number: 6503-50-0
acetonitrile molecular structure, CAS 6503-50-0](/structure-images/6503-50-0.png?v=struct-v3)
Product details
Identity & specification
- Molecular formula
- C24H17Cl3N3OPS
- Molecular weight
- 532.8 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
5228062
Exact Mass
530.989553
InChIKey
JREAHXOEWWLWFT-UHFFFAOYSA-N
IUPAC Name
2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-lambda5-phosphanylidene)acetonitrile
SMILES String
N#CC(C1=NC(=O)NC(C(Cl)(Cl)Cl)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
33
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
65.25 Ų
Computed LogP
5.23
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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.
Catalog Facts
Structural features
[4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile (CAS 6503-50-0) is maintained as a commercial cas reference with formula C24H17Cl3N3OPS, molecular weight 532. 80 g/mol, PubChem CID 5228062.
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, phosphine-ligand motif, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for [4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile (CAS 6503-50-0)?
[4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile is identified by CAS 6503-50-0, with molecular formula C24H17Cl3N3OPS, molecular weight 532.8, InChIKey JREAHXOEWWLWFT-UHFFFAOYSA-N.
Can I request a COA for CAS 6503-50-0?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for [4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 6503-50-0 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.