Research chemical
CAS Number: 2245335-70-8
![(2S,3aS,6R,7aS)-3a-Methyl-2-((perfluorophenyl)thio)-6-(prop-1-en-2-yl)hexahydrobenzo[d][1,3,2]oxathiaphosphole 2-sulfide molecular structure, CAS 2245335-70-8](/structure-images/2245335-70-8.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
139406746
Exact Mass
446.002106
InChIKey
YPYCUYPOHPPYAS-XYBLESJFSA-N
IUPAC Name
(2S,3aS,6R,7aS)-3a-methyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-6-prop-1-en-2-yl-2-sulfanylidene-5,6,7,7a-tetrahydro-4H-benzo[d][1,3,2]oxathiaphosphole
SMILES String
C=C(C)[C@@H]1CC[C@]2(C)S[P@](=S)(Sc3c(F)c(F)c(F)c(F)c3F)O[C@H]2C1
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.
(2S,3aS,6R,7aS)-3a-Methyl-2-((perfluorophenyl)thio)-6-(prop-1-en-2-yl)hexahydrobenzo[d][1,3,2]oxathiaphosphole 2-sulfide is identified by CAS 2245335-70-8, with molecular formula C16H16F5OPS3, molecular weight 446.5, InChIKey YPYCUYPOHPPYAS-XYBLESJFSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
26
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
3
Ring count
3
Aromatic rings
1
Topological polar surface area
9.23 Ų
Computed LogP
6.97
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organophosphorus reagent
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
(2S,3aS,6R,7aS)-3a-Methyl-2-((perfluorophenyl)thio)-6-(prop-1-en-2-yl)hexahydrobenzo[d][1,3,2]oxathiaphosphole 2-sulfide (CAS 2245335-70-8) is maintained as a commercial cas reference with formula C16H16F5OPS3, molecular weight 446.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.