Research chemical
CAS Number: 2702251-89-4
![(2S,3aS,6R,7aS)-2-((4-Bromophenyl)thio)-6-isopropyl-3a-methylhexahydrobenzo[d][1,3,2]oxathiaphosphole 2-oxide molecular structure, CAS 2702251-89-4](/structure-images/2702251-89-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
162413671
Exact Mass
419.99822
InChIKey
FECFSGBUDPGGDZ-MPBUKGMASA-N
IUPAC Name
(2S,3aS,6R,7aS)-2-(4-bromophenyl)sulfanyl-3a-methyl-6-propan-2-yl-5,6,7,7a-tetrahydro-4H-benzo[d][1,3,2]oxathiaphosphole 2-oxide
SMILES String
CC(C)[C@@H]1CC[C@]2(C)S[P@](=O)(Sc3ccc(Br)cc3)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)-2-((4-Bromophenyl)thio)-6-isopropyl-3a-methylhexahydrobenzo[d][1,3,2]oxathiaphosphole 2-oxide is identified by CAS 2702251-89-4, with molecular formula C16H22BrO2PS2, molecular weight 421.4, InChIKey FECFSGBUDPGGDZ-MPBUKGMASA-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.
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
22
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
3
Ring count
3
Aromatic rings
1
Topological polar surface area
26.3 Ų
Computed LogP
7
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)-2-((4-Bromophenyl)thio)-6-isopropyl-3a-methylhexahydrobenzo[d][1,3,2]oxathiaphosphole 2-oxide (CAS 2702251-89-4) is maintained as a commercial cas reference with formula C16H22BrO2PS2, molecular weight 421. 40 g/mol, PubChem CID 162413671.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.