Research chemical
CAS Number: 2094737-51-4
![(3aS,6R,7aR)-8,8-Dimethyl-1-((trifluoromethyl)thio)hexahydro-1H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide molecular structure, CAS 2094737-51-4](/structure-images/2094737-51-4.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
155487293
Exact Mass
315.057456
InChIKey
YJHQCSIURSSCAX-NQMVMOMDSA-N
IUPAC Name
(1S,5R,7R)-10,10-dimethyl-4-(trifluoromethylsulfanyl)-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILES String
CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(SC(F)(F)F)[C@@H]3C2
No physical property values available.
XLogP
3.4
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
19
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
1
Ring count
3
Aromatic rings
0
Topological polar surface area
37.38 Ų
Computed LogP
2.99
Structural features
(3aS,6R,7aR)-8,8-Dimethyl-1-((trifluoromethyl)thio)hexahydro-1H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide (CAS 2094737-51-4) is listed in the Advanced Chemicals portfolio, with molecular formula C11H16F3NO2S2 and molecular weight 315. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
(3aS,6R,7aR)-8,8-Dimethyl-1-((trifluoromethyl)thio)hexahydro-1H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSignal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302, H315, H319, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P280, P301+P312, P302+P352, P305+P351+P338
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.