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CAS 321746-49-0 Triethylsulfonium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 321746-49-0

Triethylsulfonium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-137727
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 321746-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

321746-49-0 / bis(trifluoromethylsulfonyl)azanide;triethylsulfanium

Standard CAS: 321746-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321746-49-0
Multi CAS
No
Molecular Formula
C8F6H15NO4S3
Molecular Weight
399.400000
Exact Mass
399.006740
InChI
InChI=1S/C6H15S.C2F6NO4S2/c1-4-7(5-2)6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H2,1-3H3;/q+1;-1
InChIKey
BLODSRKENWXTLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
72.3
TPSA
82.38

LogP / Solubility

WLOGP
2.72
MLOGP
2.42
XLogP3
2.72
Consensus LogP
2.62
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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